2-[4-(3-carbamimidoylphenyl)sulfanyl-3-methanoyl-2-oxidanylidene-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(3-carbamimidoylphenyl)sulfanyl-3-methanoyl-2-oxidanylidene-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-(3-carbamimidoylphenyl)sulfanyl-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[(3-carbamimidoylphenyl)thio]-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-(3-carbamimidoylphenyl)sulfanyl-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[(3-amidinophenyl)thio]-3-formyl-2-keto-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)(C3=CC=CC=C3)SC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)(C3=CC=CC=C3)SC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C29H29N3O4S/c30-26(31)22-12-7-15-24(17-22)37-29(23-13-5-2-6-14-23)19-32(16-8-11-21-9-3-1-4-10-21)27(36)28(29,20-33)18-25(34)35/h1-7,9-10,12-15,17,20H,8,11,16,18-19H2,(H3,30,31)(H,34,35)