(3S)-3-[[(E)-5-(4-carbamimidoylphenyl)pent-4-enoyl]amino]pent-4-enoic acid

Systemtic Name: (3S)-3-[[(E)-5-(4-carbamimidoylphenyl)pent-4-enoyl]amino]pent-4-enoic acid Openeye Name: (3S)-3-[[(E)-5-(4-carbamimidoylphenyl)pent-4-enoyl]amino]pent-4-enoic acid CAS Name: (3S)-3-[[(E)-5-(4-carbamimidoylphenyl)-1-oxopent-4-enyl]amino]-4-pentenoic acid IUPAC Name: (3S)-3-[[(E)-5-(4-carbamimidoylphenyl)pent-4-enoyl]amino]pent-4-enoic acid Traditional Name: (3S)-3-[[(E)-5-(4-amidinophenyl)pent-4-enoyl]amino]pent-4-enoic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)O)NC(=O)CCC=CC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

C=C[C@H](CC(=O)O)NC(=O)CC/C=C/C1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C17H21N3O3/c1-2-14(11-16(22)23)20-15(21)6-4-3-5-12-7-9-13(10-8-12)17(18)19/h2-3,5,7-10,14H,1,4,6,11H2,(H3,18,19)(H,20,21)(H,22,23)/b5-3+/t14-/m1/s1