2-[2-(2-acetamidoethanoyl)-3-(naphthalen-1-ylcarbonylamino)-4-oxidanylidene-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(2-acetamidoethanoyl)-3-(naphthalen-1-ylcarbonylamino)-4-oxidanylidene-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[2-(2-acetamidoacetyl)-3-(naphthalene-1-carbonylamino)-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetic acid CAS Name: 2-[2-(2-acetamido-1-oxoethyl)-3-[[1-naphthalenyl(oxo)methyl]amino]-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetic acid IUPAC Name: 2-[2-(2-acetamidoacetyl)-3-(naphthalene-1-carbonylamino)-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetic acid Traditional Name: 2-[2-(2-acetamidoacetyl)-4-keto-3-(1-naphthoylamino)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)C1C(C(=O)N(C2=CC=CC=C2N1)CC(=O)O)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)NCC(=O)C1C(C(=O)N(C2=CC=CC=C2N1)CC(=O)O)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H24N4O6/c1-15(31)27-13-21(32)23-24(29-25(35)18-10-6-8-16-7-2-3-9-17(16)18)26(36)30(14-22(33)34)20-12-5-4-11-19(20)28-23/h2-12,23-24,28H,13-14H2,1H3,(H,27,31)(H,29,35)(H,33,34)