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

Systemtic Name: 2-[4-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-4-piperidyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-3-formyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[1-(4-amidinophenyl)-4-piperidyl]-3-formyl-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CN(C(=O)C2(CC(=O)O)C=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1C2CN(C(=O)C2(CC(=O)O)C=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H34N4O4/c29-26(30)22-8-10-23(11-9-22)31-15-12-21(13-16-31)24-18-32(14-4-7-20-5-2-1-3-6-20)27(36)28(24,19-33)17-25(34)35/h1-3,5-6,8-11,19,21,24H,4,7,12-18H2,(H3,29,30)(H,34,35)