3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoylamino]pent-4-enoic acid

Systemtic Name: 3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoylamino]pent-4-enoic acid Openeye Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]acetyl]amino]pent-4-enoic acid CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]-1-oxoethyl]amino]-4-pentenoic acid IUPAC Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]acetyl]amino]pent-4-enoic acid Traditional Name: 3-[[2-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]acetyl]amino]pent-4-enoic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)O)NC(=O)CC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C=CC(CC(=O)O)NC(=O)CC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H22N4O4/c1-2-13(10-16(24)25)21-15(23)9-12-7-8-22(18(12)26)14-5-3-11(4-6-14)17(19)20/h2-6,12-13H,1,7-10H2,(H3,19,20)(H,21,23)(H,24,25)