2-[(2S)-7-[(6-azanylpyridin-2-yl)methyl-methyl-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)methyl-methyl-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)methyl-methyl-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)methyl-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)methyl-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)methyl-methyl-carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC(=CC=C3)N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC(=CC=C3)N)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C20H23N5O4/c1-24-10-13-8-12(6-7-15(13)23-16(20(24)29)9-18(26)27)19(28)25(2)11-14-4-3-5-17(21)22-14/h3-8,16,23H,9-11H2,1-2H3,(H2,21,22)(H,26,27)/t16-/m0/s1