2-[7-[(6-azanylpyridin-2-yl)carbamoyl]-1-ethanoyl-4-methyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(6-azanylpyridin-2-yl)carbamoyl]-1-ethanoyl-4-methyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[1-acetyl-7-[(6-amino-2-pyridyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[1-acetyl-7-[[(6-amino-2-pyridinyl)amino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[1-acetyl-7-[(6-aminopyridin-2-yl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[1-acetyl-7-[(6-amino-2-pyridyl)carbamoyl]-3-keto-4-methyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)NC3=CC=CC(=N3)N)C)CC(=O)O

Isomeric SMILES

CC(=O)N1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)NC3=CC=CC(=N3)N)C)CC(=O)O

InChI

InChI=1S/C20H21N5O5/c1-11(26)25-14-7-6-12(19(29)23-17-5-3-4-16(21)22-17)8-13(14)10-24(2)20(30)15(25)9-18(27)28/h3-8,15H,9-10H2,1-2H3,(H,27,28)(H3,21,22,23,29)