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

Systemtic Name: 2-[(2S)-7-[(6-azanylpyridin-2-yl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-[(6-amino-2-pyridyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-7-[[(6-amino-2-pyridinyl)amino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-[(6-aminopyridin-2-yl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-7-[(6-amino-2-pyridyl)carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NC3=CC=CC(=N3)N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NC3=CC=CC(=N3)N)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C18H19N5O4/c1-23-9-11-7-10(17(26)22-15-4-2-3-14(19)21-15)5-6-12(11)20-13(18(23)27)8-16(24)25/h2-7,13,20H,8-9H2,1H3,(H,24,25)(H3,19,21,22,26)/t13-/m0/s1