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

Systemtic Name: ethyl (3R)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-ynoate Openeye Name: ethyl (3R)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pent-4-ynoate CAS Name: (3R)-3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-pentynoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate Traditional Name: (3R)-3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]pent-4-ynoic acid ethyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

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/C18H22N4O4/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/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24)/t13-/m0/s1