3-[7-[4-(2-azanylpyridin-3-yl)oxybutyl]-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid

Systemtic Name: 3-[7-[4-(2-azanylpyridin-3-yl)oxybutyl]-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-[4-[(2-amino-3-pyridyl)oxy]butyl]-1-benzyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-[4-[(2-amino-3-pyridinyl)oxy]butyl]-2,5-dioxo-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-[4-(2-aminopyridin-3-yl)oxybutyl]-1-benzyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-[4-[(2-amino-3-pyridyl)oxy]butyl]-1-benzyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C35H36N4O5 MolecularWeight: 592.68414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCOC3=C(N=CC=C3)N)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(CC(=O)O)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCOC3=C(N=CC=C3)N)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H36N4O5/c1-24(21-31(40)41)39-32(27-14-6-3-7-15-27)35(43)38(23-26-12-4-2-5-13-26)29-18-17-25(22-28(29)34(39)42)11-8-9-20-44-30-16-10-19-37-33(30)36/h2-7,10,12-19,22,24,32H,8-9,11,20-21,23H2,1H3,(H2,36,37)(H,40,41)