6-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-5,9-bis(oxidanylidene)-1,2,3,6,7,8-hexahydropyrazolo[1,2-a][1,2]diazepine-3-carboxylic acid

Systemtic Name: 6-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-5,9-bis(oxidanylidene)-1,2,3,6,7,8-hexahydropyrazolo[1,2-a][1,2]diazepine-3-carboxylic acid Openeye Name: 6-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-5,9-dioxo-1,2,3,6,7,8-hexahydropyrazolo[1,2-a]diazepine-3-carboxylic acid CAS Name: 6-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-5,9-dioxo-1,2,3,6,7,8-hexahydropyrazolo[1,2-a]diazepine-3-carboxylic acid IUPAC Name: 6-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-5,9-dioxo-1,2,3,6,7,8-hexahydropyrazolo[1,2-a]diazepine-3-carboxylic acid Traditional Name: 6-[[2-(acetylthio)-3-phenyl-propanoyl]amino]-5,9-diketo-1,2,3,6,7,8-hexahydropyrazolo[1,2-a]diazepine-3-carboxylic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCC(=O)N3CCC(N3C2=O)C(=O)O

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCC(=O)N3CCC(N3C2=O)C(=O)O

InChI

InChI=1S/C20H23N3O6S/c1-12(24)30-16(11-13-5-3-2-4-6-13)18(26)21-14-7-8-17(25)22-10-9-15(20(28)29)23(22)19(14)27/h2-6,14-16H,7-11H2,1H3,(H,21,26)(H,28,29)