(3E)-3-aminocarbonylimino-2-[(2-aminophenyl)carbonyl-methyl-amino]-5-azanyl-2-ethanoyl-pent-4-ynoic acid

Systemtic Name: (3E)-3-aminocarbonylimino-2-[(2-aminophenyl)carbonyl-methyl-amino]-5-azanyl-2-ethanoyl-pent-4-ynoic acid Openeye Name: (3E)-2-acetyl-5-amino-2-[(2-aminobenzoyl)-methyl-amino]-3-carbamoylimino-pent-4-ynoic acid CAS Name: (3E)-2-acetyl-5-amino-2-[[(2-aminophenyl)-oxomethyl]-methylamino]-3-carbamoylimino-4-pentynoic acid IUPAC Name: (3E)-2-acetyl-5-amino-2-[(2-aminobenzoyl)-methylamino]-3-carbamoyliminopent-4-ynoic acid Traditional Name: (3E)-2-acetyl-5-amino-2-[anthraniloyl(methyl)amino]-3-carbamoylimino-pent-4-ynoic acid Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=NC(=O)N)C#CN)(C(=O)O)N(C)C(=O)C1=CC=CC=C1N

Isomeric SMILES

CC(=O)C(/C(=N/C(=O)N)/C#CN)(C(=O)O)N(C)C(=O)C1=CC=CC=C1N

InChI

InChI=1S/C16H17N5O5/c1-9(22)16(14(24)25,12(7-8-17)20-15(19)26)21(2)13(23)10-5-3-4-6-11(10)18/h3-6H,17-18H2,1-2H3,(H2,19,26)(H,24,25)/b20-12+