methyl 2-[4-(3-carbamimidoylphenyl)sulfinyl-3-methanoyl-2-oxidanylidene-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-(3-carbamimidoylphenyl)sulfinyl-3-methanoyl-2-oxidanylidene-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[4-(3-carbamimidoylphenyl)sulfinyl-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate CAS Name: 2-[4-(3-carbamimidoylphenyl)sulfinyl-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-carbamimidoylphenyl)sulfinyl-3-formyl-2-oxo-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate Traditional Name: 2-[4-(3-amidinophenyl)sulfinyl-3-formyl-2-keto-4-phenyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid methyl ester Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(C(=O)N(CC1(C2=CC=CC=C2)S(=O)C3=CC=CC(=C3)C(=N)N)CCCC4=CC=CC=C4)C=O

Isomeric SMILES

COC(=O)CC1(C(=O)N(CC1(C2=CC=CC=C2)S(=O)C3=CC=CC(=C3)C(=N)N)CCCC4=CC=CC=C4)C=O

InChI

InChI=1S/C30H31N3O5S/c1-38-26(35)19-29(21-34)28(36)33(17-9-12-22-10-4-2-5-11-22)20-30(29,24-14-6-3-7-15-24)39(37)25-16-8-13-23(18-25)27(31)32/h2-8,10-11,13-16,18,21H,9,12,17,19-20H2,1H3,(H3,31,32)