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

Systemtic Name: 2-[1-(aminomethyl)-3-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-(aminomethyl)-3-[1-(4-carbamimidoylphenyl)-4-piperidyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-(aminomethyl)-3-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-(aminomethyl)-3-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[1-(4-amidinophenyl)-4-piperidyl]-1-(aminomethyl)-2-keto-pyrrolidin-3-yl]acetic acid Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2(CCN(C2=O)CN)CC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C2(CCN(C2=O)CN)CC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H27N5O3/c20-12-24-10-7-19(18(24)27,11-16(25)26)14-5-8-23(9-6-14)15-3-1-13(2-4-15)17(21)22/h1-4,14H,5-12,20H2,(H3,21,22)(H,25,26)