(E)-5-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid

Systemtic Name: (E)-5-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid Openeye Name: (E)-5-[[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid CAS Name: (E)-5-[[[[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]-4-pentenoic acid IUPAC Name: (E)-5-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]pent-4-enoic acid Traditional Name: (E)-5-[[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:

C1CN(C(=O)C1NC(=O)NC=CCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1NC(=O)N/C=C/CCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H21N5O4/c18-15(19)11-4-6-12(7-5-11)22-10-8-13(16(22)25)21-17(26)20-9-2-1-3-14(23)24/h2,4-7,9,13H,1,3,8,10H2,(H3,18,19)(H,23,24)(H2,20,21,26)/b9-2+