(2S)-5-azanyl-2-[[(2R)-2-[[(2S)-2-(7-azanylheptanoylamino)-3-(phenylcarbonyloxy)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2R)-2-[[(2S)-2-(7-azanylheptanoylamino)-3-(phenylcarbonyloxy)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-(7-aminoheptanoylamino)-3-benzoyloxy-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]pentanoic acid CAS Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[(7-amino-1-oxoheptyl)amino]-3-benzoyloxy-1-oxopropyl]amino]-3-(4-chlorophenyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-(7-aminoheptanoylamino)-3-benzoyloxypropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]pentanoic acid Traditional Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-(7-aminoheptanoylamino)-3-benzoyloxy-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]valeric acid Formula: C31H42ClN5O7 MolecularWeight: 632.14748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)NC(CCCN)C(=O)O)NC(=O)CCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H](C(=O)N[C@H](CC2=CC=C(C=C2)Cl)C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)CCCCCCN

InChI

InChI=1S/C31H42ClN5O7/c32-23-15-13-21(14-16-23)19-25(28(39)36-24(30(41)42)11-8-18-34)37-29(40)26(35-27(38)12-6-1-2-7-17-33)20-44-31(43)22-9-4-3-5-10-22/h3-5,9-10,13-16,24-26H,1-2,6-8,11-12,17-20,33-34H2,(H,35,38)(H,36,39)(H,37,40)(H,41,42)/t24-,25+,26-/m0/s1