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

Systemtic Name: 2-[(2S)-7-[(6-azanylpyridin-2-yl)methylcarbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-[(6-amino-2-pyridyl)methylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-7-[[(6-amino-2-pyridinyl)methylamino]-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)methylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-7-[(6-amino-2-pyridyl)methylcarbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC(=CC=C3)N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC(=CC=C3)N)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C19H21N5O4/c1-24-10-12-7-11(18(27)21-9-13-3-2-4-16(20)22-13)5-6-14(12)23-15(19(24)28)8-17(25)26/h2-7,15,23H,8-10H2,1H3,(H2,20,22)(H,21,27)(H,25,26)/t15-/m0/s1