4-azanyl-2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-2-methyl-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 4-azanyl-2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-2-methyl-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 4-amino-2-[2,3-bis(benzoylsulfanyl)propanoylamino]-2-methyl-3-oxo-5-phenyl-pentanoic acid CAS Name: 4-amino-2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-2-methyl-3-oxo-5-phenylpentanoic acid IUPAC Name: 4-amino-2-[2,3-bis(benzoylsulfanyl)propanoylamino]-2-methyl-3-oxo-5-phenylpentanoic acid Traditional Name: 4-amino-2-[2,3-bis(benzoylthio)propanoylamino]-3-keto-2-methyl-5-phenyl-valeric acid Formula: C29H28N2O6S2 MolecularWeight: 564.67242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H28N2O6S2/c1-29(28(36)37,24(32)22(30)17-19-11-5-2-6-12-19)31-25(33)23(39-27(35)21-15-9-4-10-16-21)18-38-26(34)20-13-7-3-8-14-20/h2-16,22-23H,17-18,30H2,1H3,(H,31,33)(H,36,37)