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

Systemtic Name: 2-[3-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-1-(methylaminomethyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[1-(4-carbamimidoylphenyl)-4-piperidyl]-1-(methylaminomethyl)-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-1-(methylaminomethyl)-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-1-(methylaminomethyl)-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[1-(4-amidinophenyl)-4-piperidyl]-2-keto-1-(methylaminomethyl)pyrrolidin-3-yl]acetic acid Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CNCN1CCC(C1=O)(CC(=O)O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CNCN1CCC(C1=O)(CC(=O)O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H29N5O3/c1-23-13-25-11-8-20(19(25)28,12-17(26)27)15-6-9-24(10-7-15)16-4-2-14(3-5-16)18(21)22/h2-5,15,23H,6-13H2,1H3,(H3,21,22)(H,26,27)