(3S)-3-[4-[(4-carbamimidoylphenyl)amino]butanoylamino]pent-4-enoic acid

Systemtic Name: (3S)-3-[4-[(4-carbamimidoylphenyl)amino]butanoylamino]pent-4-enoic acid Openeye Name: (3S)-3-[4-(4-carbamimidoylanilino)butanoylamino]pent-4-enoic acid CAS Name: (3S)-3-[[4-(4-carbamimidoylanilino)-1-oxobutyl]amino]-4-pentenoic acid IUPAC Name: (3S)-3-[4-(4-carbamimidoylanilino)butanoylamino]pent-4-enoic acid Traditional Name: (3S)-3-[4-(4-amidinoanilino)butanoylamino]pent-4-enoic acid Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)O)NC(=O)CCCNC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

C=C[C@H](CC(=O)O)NC(=O)CCCNC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C16H22N4O3/c1-2-12(10-15(22)23)20-14(21)4-3-9-19-13-7-5-11(6-8-13)16(17)18/h2,5-8,12,19H,1,3-4,9-10H2,(H3,17,18)(H,20,21)(H,22,23)/t12-/m1/s1