2-[8-[2-(2-azanylpyridin-4-yl)ethyl-methyl-carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[2-(2-azanylpyridin-4-yl)ethyl-methyl-carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[2-(2-amino-4-pyridyl)ethyl-methyl-carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[2-(2-amino-4-pyridinyl)ethyl-methylamino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[2-(2-aminopyridin-4-yl)ethyl-methylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[2-(2-amino-4-pyridyl)ethyl-methyl-carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=NC=C1)N)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(CCC1=CC(=NC=C1)N)C(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H31N5O4/c1-32(13-10-20-9-12-30-25(29)15-20)27(36)21-7-8-22-18-33(14-11-19-5-3-2-4-6-19)28(37)24(17-26(34)35)31-23(22)16-21/h2-9,12,15-16,24,31H,10-11,13-14,17-18H2,1H3,(H2,29,30)(H,34,35)