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

Systemtic Name: 2-[4-[(3-carbamimidoylphenyl)-oxidanyl-methyl]-3-methanoyl-2-oxidanylidene-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[(3-carbamimidoylphenyl)-hydroxy-methyl]-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[(3-carbamimidoylphenyl)-hydroxymethyl]-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[(3-carbamimidoylphenyl)-hydroxymethyl]-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[(3-amidinophenyl)-hydroxy-methyl]-3-formyl-2-keto-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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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)C(C4=CC=CC(=C4)C(=N)N)O

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O5/c31-27(32)23-13-7-12-22(17-23)26(37)30(24-14-5-2-6-15-24)19-33(16-8-11-21-9-3-1-4-10-21)28(38)29(30,20-34)18-25(35)36/h1-7,9-10,12-15,17,20,26,37H,8,11,16,18-19H2,(H3,31,32)(H,35,36)