(3S)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-ynoic acid hydrochloride

Systemtic Name: (3S)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-ynoic acid hydrochloride Openeye Name: (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pent-4-ynoic acid hydrochloride CAS Name: (3S)-3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-pentynoic acid hydrochloride IUPAC Name: (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoic acid hydrochloride Traditional Name: (3S)-3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]pent-4-ynoic acid hydrochloride Formula: C16H19ClN4O4 MolecularWeight: 366.79946

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N.Cl

Isomeric SMILES

C#C[C@H](CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N.Cl

InChI

InChI=1S/C16H18N4O4.ClH/c1-2-11(9-15(23)24)19-13(21)7-8-14(22)20-12-5-3-10(4-6-12)16(17)18;/h1,3-6,11H,7-9H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24);1H/t11-;/m1./s1