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

Systemtic Name: (E)-5-(aminocarbonylamino)-2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]pent-4-enoic acid Openeye Name: (E)-2-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]-5-ureido-pent-4-enoic acid CAS Name: (E)-2-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]-5-(carbamoylamino)-4-pentenoic acid IUPAC Name: (E)-2-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]-5-(carbamoylamino)pent-4-enoic acid Traditional Name: (E)-2-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]-5-ureido-pent-4-enoic acid Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C(CC=CNC(=O)N)C(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1C(C/C=C/NC(=O)N)C(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H21N5O4/c18-14(19)10-3-5-11(6-4-10)22-9-7-12(15(22)23)13(16(24)25)2-1-8-21-17(20)26/h1,3-6,8,12-13H,2,7,9H2,(H3,18,19)(H,24,25)(H3,20,21,26)/b8-1+