2-[3-[[(7-carbamimidoylnaphthalen-2-yl)carbonylamino]methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[3-[[(7-carbamimidoylnaphthalen-2-yl)carbonylamino]methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[[(7-carbamimidoylnaphthalene-2-carbonyl)amino]methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[[(7-carbamimidoyl-2-naphthalenyl)-oxomethyl]amino]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[[(7-carbamimidoylnaphthalene-2-carbonyl)amino]methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[[(7-amidino-2-naphthoyl)amino]methyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CC(=O)O)CNC(=O)C2=CC3=C(C=CC(=C3)C(=N)N)C=C2)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C1(CC(=O)O)CNC(=O)C2=CC3=C(C=CC(=C3)C(=N)N)C=C2)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4/c29-25(30)21-10-8-20-9-11-22(16-23(20)15-21)26(35)31-18-28(17-24(33)34)12-14-32(27(28)36)13-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,15-16H,4,7,12-14,17-18H2,(H3,29,30)(H,31,35)(H,33,34)