L-Lysyl-L-prolyl-L-asparaginylprolyl-L-alpha-glutamyl-N~5~-(diaminomethylene)-L-ornithyl-L-phenylalanyl-L-tyrosylglycyl-L-leucyl-L-methioninamide

Basic Information

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CAS Number

139446-71-2

Molecular Formula

C62H95N17O15S

Molecular Weight

1350.61 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(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C3CCCN3C(=O)C(CC(=O)N)NC(=O)C4CCCN4C(=O)C(CCCCN)N

InChI

InChI=1S/C62H95N17O15S/c1-35(2)30-43(56(89)72-40(52(66)85)24-29-95-3)71-50(82)34-70-53(86)44(32-37-18-20-38(80)21-19-37)75-57(90)45(31-36-12-5-4-6-13-36)76-54(87)41(15-9-26-69-62(67)68)73-55(88)42(22-23-51(83)84)74-58(91)48-17-11-28-79(48)61(94)46(33-49(65)81)77-59(92)47-16-10-27-78(47)60(93)39(64)14-7-8-25-63/h4-6,12-13,18-21,35,39-48,80H,7-11,14-17,22-34,63-64H2,1-3H3,(H2,65,81)(H2,66,85)(H,70,86)(H,71,82)(H,72,89)(H,73,88)(H,74,91)(H,75,90)(H,76,87)(H,77,92)(H,83,84)(H4,67,68,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48?/m0/s1

InChIKey

YTZYDDAKFLJJQR-MYBMXRGGSA-N

LogP

-3.7962000000000025

Topological Polar Surface Area

533.5699999999998 Å²

Hydrogen Bond Donor/Acceptor

22 / 32

Complexity

2640

Synonyms & References

English

L-Methioninamide, L-lysyl-L-prolyl-L-asparaginyl-L-prolyl-L-alpha-glutamyl-L-arginyl-L-phenylalanyl-L-tyrosylglycyl-L-leucyl-
139446-71-2
Ranakinin(9ci)
Ranakinin (9CI)
Ranakinin
H-LYS-PRO-ASN-PRO-GLU-ARG-PHE-TYR-GLY-LEU-MET-NH2
Lys-Pro-Asn-Pro-Glu-Arg-Phe-Tyr-Gly-Leu-Met-NH2