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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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