N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine

Basic Information

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CAS Number

13602-53-4

Molecular Formula

C46H66N12O9

Molecular Weight

931.11 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

Boiling Point

°Cat760mmHg

Density

1.39

Solubility

H2O: 1.0 mg/mL, clear, colorless

Refractive Index

1.657

SMILES

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CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1

InChIKey

QMMRCKSBBNJCMR-KMZPNFOHSA-N

LogP

-0.2742000000000011

Topological Polar Surface Area

342.43999999999994 Å²

Hydrogen Bond Donor/Acceptor

14 / 21

Complexity

1680

Synonyms & References

English

CHEBI:89666
1-Desaspartyl-5-isoleucine angiotensin II
13602-53-4
Angiotensin III, human, mouse
Angiotensin III trifluoroacetate salt hydrate
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
NCGC00167131-01
Des-asp(1)-(ile(5))-angiotensin II
SCHEMBL9010604
MFCD00167500
(S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-4-yl)methyl)-1,6-diamino-15-sec-butyl-12-(4-hydroxybenzyl)-1-imino-9-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadecane)pyrrolidine-2-carboxamido)-3-phenylpropanoic acid
Angiotensin III (H-L-Arg-L-Val-L-Tyr-L-Ile-L-His-L-Pro-L-Phe-OH)
Angiotensin III, Human
12687-51-3
CHEMBL1702539
Angiotensin III, 5-ile-
ANGIOTENSIN III
BDBM85557
5-Ile-angiotensin III
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
AKOS024456669
XH7F04LXTF
CAS_12687-51-3
Angiotensin II, 1-desaspartyl-5-isoleucine-
CS-0044838
HY-P1540
Des-Asp-1-Angiotensin II
UNII-XH7F04LXTF
QMMRCKSBBNJCMR-KMZPNFOHSA-N
1-De-L-aspartic acid-5-L-isoleucine-angiotensin II
2-8-Angiotensin II,5-L-isoleucine-

MDL Number

MFCD00167500

FAQ

What regulatory guidelines apply to N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4)?

N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4) falls under the scope of the REACH regulations in the European Union and the Toxic Substances Control Act (TSCA) in the US. It may also require registration under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labelling purposes. FDA and EPA may have additional requirements for it, depending on its intended use.

Are there alternatives to N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4) in synthesis?

There are no direct alternatives to N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4) for synthesis, but similar peptides may be used as substitutes depending on the specific application. These could include other synthetic peptides with similar sequences or isomers of the amino acids used in its structure.

What is the market or research trend for N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4)?

N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4) is primarily used in research for peptide chemistry and pharmaceutical studies. Market trends suggest a growing interest in peptide-based therapeutics, which is likely to drive the demand for this compound. Research is also focusing on the potential applications in drug delivery systems and targeted therapies.

How should waste containing N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4) be handled?

Waste containing N~5~-(Diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine (CAS: 13602-53-4) should be collected in appropriate containers and stored in a cool, dry place away from sources of heat and ignition. It should be disposed of in compliance with local, national, and international regulations. Professional waste disposal services should be sought for safe disposal, especially if the waste is considered hazardous.