ethyl (3R)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-enoate

Systemtic Name: ethyl (3R)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-enoate Openeye Name: ethyl (3R)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pent-4-enoate CAS Name: (3R)-3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-pentenoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-enoate Traditional Name: (3R)-3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]pent-4-enoic acid ethyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C[C@H](C=C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C18H24N4O4/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-5-12(6-8-14)18(19)20/h3,5-8,13H,1,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24)/t13-/m0/s1