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

Systemtic Name: ethyl (3S)-3-[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]pent-4-enoate Openeye Name: ethyl (3S)-3-[[4-(4-carbamimidoyl-N-methyl-anilino)-4-oxo-butanoyl]amino]pent-4-enoate CAS Name: (3S)-3-[[4-(4-carbamimidoyl-N-methylanilino)-1,4-dioxobutyl]amino]-4-pentenoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[4-(4-carbamimidoyl-N-methylanilino)-4-oxobutanoyl]amino]pent-4-enoate Traditional Name: (3S)-3-[[4-(4-amidino-N-methyl-anilino)-4-keto-butanoyl]amino]pent-4-enoic acid ethyl ester Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4/c1-4-14(12-18(26)27-5-2)22-16(24)10-11-17(25)23(3)15-8-6-13(7-9-15)19(20)21/h4,6-9,14H,1,5,10-12H2,2-3H3,(H3,20,21)(H,22,24)/t14-/m1/s1