(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Basic Information

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CAS Number

160295-81-8

Molecular Formula

C53H79N13O10

Molecular Weight

1058.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C53H79N13O10/c1-29(2)23-39(63-46(69)36(54)25-33-15-9-8-10-16-33)49(72)64-41(26-34-27-58-37-18-12-11-17-35(34)37)47(70)59-28-43(67)66-22-14-20-42(66)51(74)61-38(19-13-21-57-53(55)56)48(71)60-32(7)45(68)62-40(24-30(3)4)50(73)65-44(31(5)6)52(75)76/h8-12,15-18,27,29-32,36,38-42,44,58H,13-14,19-26,28,54H2,1-7H3,(H,59,70)(H,60,71)(H,61,74)(H,62,68)(H,63,69)(H,64,72)(H,65,73)(H,75,76)(H4,55,56,57)/t32-,36-,38-,39-,40-,41-,42-,44-/m0/s1

InChIKey

PQGCYSRGXCORLN-RJXLGPPMSA-N

LogP

0.41236999999998625

Topological Polar Surface Area

365.0199999999999 Å²

Hydrogen Bond Donor/Acceptor

15 / 23

Complexity

2010

Synonyms & References

English

H-Phe-Leu-Trp-Gly-Pro-Arg-Ala-Leu-Val-OH
L-Valine, L-phenylalanyl-L-leucyl-L-tryptophylglycyl-L-prolyl-L-arginyl-L-alanyl-L-leucyl-
L-Valine,L-phenylalanyl-L-leucyl-L-tryptophylglycyl-L-prolyl-L-arginyl-L-alanyl-L-leucyl-
MAGE-3 (271-279)
HY-P2524
AKOS030525582
CS-0135068
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
DTXSID10352946
Mage-3 antigen(271-279)(human)
160295-81-8
(2R)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
MAGE-3 Antigen (271-279) (human)
Melanoma antigen gene-encoding fragment 3 (271-279), human
AC1LEHJ0
AC1Q4U8Z
AC1Q77RN
AR-1A2683
CHEMBL19588
KST-1A1817
PHE-LEU-TRP-GLY-PRO-ARG-ALA-LEU-VAL: FLWGPRALV
SureCN1580900
FLWGPRALV
H2N-FLWGPRALV-OH
MAGE-3 HUMAN (271-279)
PHE-LEU-TRP-GLY-PRO-ARG-ALA-LEU-VAL
H-PHE-LEU-TRP-GLY-PRO-ARG-ALA-LEU-VAL-OH
MELANOMA-ASSOCIATED ANTIGEN 3 (271-279) (HUMAN)
MAGE-3 Antigen (271-279) (huMan) MelanoMa-Associated Antigen 3 (271-279) (huMan)

MDL Number

MFCD00943339

FAQ

What are the physical and chemical properties of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid (CAS: 160295-81-8)?

This compound is a complex organic acid with a high molecular weight. It exists in a crystalline form and possesses a high solubility in polar solvents like methanol and dimethyl sulfoxide. The compound is reactive towards nucleophiles and electrophiles and is stable in acidic and neutral conditions but may hydrolyze in basic media.

How is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid (CAS: 160295-81-8) typically synthesized?

The synthesis of this compound typically involves multi-step peptide synthesis using solid-phase methods. Commonly, a protected amino acid is first synthesized, followed by sequential coupling reactions and deprotection steps. The use of coupling reagents such as HATU and protecting groups like Boc or Fmoc is typical in such syntheses. The final product is obtained with high yield and selectivity, though the process is complex and requires careful optimization.

What industries use (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid (CAS: 160295-81-8)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. Its structural complexity and specific functional groups make it suitable for designing and synthesizing bioactive compounds. It may also find applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid (CAS: 160295-81-8)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn. It should be stored in a fume hood to minimize exposure to air. In case of a spill, it should be handled with care and neutralized using appropriate reagents before disposal. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.