(3S)-3-[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]pent-4-enoic acid

Systemtic Name: (3S)-3-[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]pent-4-enoic acid Openeye Name: (3S)-3-[[4-(4-carbamimidoyl-N-methyl-anilino)-4-oxo-butanoyl]amino]pent-4-enoic acid CAS Name: (3S)-3-[[4-(4-carbamimidoyl-N-methylanilino)-1,4-dioxobutyl]amino]-4-pentenoic acid IUPAC Name: (3S)-3-[[4-(4-carbamimidoyl-N-methylanilino)-4-oxobutanoyl]amino]pent-4-enoic acid Traditional Name: (3S)-3-[[4-(4-amidino-N-methyl-anilino)-4-keto-butanoyl]amino]pent-4-enoic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-3-12(10-16(24)25)20-14(22)8-9-15(23)21(2)13-6-4-11(5-7-13)17(18)19/h3-7,12H,1,8-10H2,2H3,(H3,18,19)(H,20,22)(H,24,25)/t12-/m1/s1