(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-[2-[2-(4-nitrophenyl)ethylsulfanyl]ethyl]pentanamide; ethanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-[2-[2-(4-nitrophenyl)ethylsulfanyl]ethyl]pentanamide; ethanoic acid Openeye Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-N-[2-[2-(4-nitrophenyl)ethylsulfanyl]ethyl]pentanamide CAS Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-N-[2-[2-(4-nitrophenyl)ethylthio]ethyl]pentanamide IUPAC Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[2-[2-(4-nitrophenyl)ethylsulfanyl]ethyl]pentanamide Traditional Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-N-[2-[2-(4-nitrophenyl)ethylthio]ethyl]valeramide Formula: C27H39N7O7S MolecularWeight: 605.70626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1CCSCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1CCSCCNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)[N+](=O)[O-]

InChI

InChI=1S/C25H35N7O5S.C2H4O2/c26-21(16-18-5-9-20(33)10-6-18)23(34)31-22(2-1-12-30-25(27)28)24(35)29-13-15-38-14-11-17-3-7-19(8-4-17)32(36)37;1-2(3)4/h3-10,21-22,33H,1-2,11-16,26H2,(H,29,35)(H,31,34)(H4,27,28,30);1H3,(H,3,4)/t21-,22+;/m0./s1