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

Systemtic Name: 2-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid Openeye Name: 2-[[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid CAS Name: 2-[[[[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]-4-pentenoic acid IUPAC Name: 2-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid Traditional Name: 2-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=O)O)NC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C=CCC(C(=O)O)NC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H21N5O4/c1-2-3-13(16(24)25)21-17(26)20-12-8-9-22(15(12)23)11-6-4-10(5-7-11)14(18)19/h2,4-7,12-13H,1,3,8-9H2,(H3,18,19)(H,24,25)(H2,20,21,26)