2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-hex-5-enoic acid

Systemtic Name: 2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-hex-5-enoic acid Openeye Name: 2-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-4-hydroxy-hex-5-enoic acid CAS Name: 2-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-hydroxy-5-hexenoic acid IUPAC Name: 2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-hydroxyhex-5-enoic acid Traditional Name: 2-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-4-hydroxy-hex-5-enoic acid Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(C(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N)O

Isomeric SMILES

C=CC(CC(C(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N)O

InChI

InChI=1S/C17H22N4O5/c1-2-12(22)9-13(17(25)26)21-15(24)8-7-14(23)20-11-5-3-10(4-6-11)16(18)19/h2-6,12-13,22H,1,7-9H2,(H3,18,19)(H,20,23)(H,21,24)(H,25,26)