3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6-methoxy-hex-4-ynoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6-methoxy-hex-4-ynoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-6-methoxy-hex-4-ynoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-6-methoxy-4-hexynoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-6-methoxyhex-4-ynoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-6-methoxy-hex-4-ynoic acid Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5/c1-27-10-2-3-14(11-17(25)26)22-16(24)9-8-15(23)21-13-6-4-12(5-7-13)18(19)20/h4-7,14H,8-11H2,1H3,(H3,19,20)(H,21,23)(H,22,24)(H,25,26)