1-[2-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)-methyl-amino]ethanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)-methyl-amino]ethanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenyl-butyl)-methyl-amino]acetyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenylbutyl)-methylamino]-1-oxoethyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenylbutyl)-methylamino]acetyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenyl-butyl)-methyl-amino]acetyl]-4-(phenylthio)proline Formula: C31H35N3O5S MolecularWeight: 561.6917

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)CC(=O)N3CC(CC3C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)CC(=O)N3CC(CC3C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C31H35N3O5S/c1-33(21-29(36)34-19-25(18-27(34)31(38)39)40-24-15-9-4-10-16-24)20-28(35)26(17-22-11-5-2-6-12-22)32-30(37)23-13-7-3-8-14-23/h2-16,25-28,35H,17-21H2,1H3,(H,32,37)(H,38,39)