3-[7-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[7-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid Openeye Name: 3-[7-[3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid CAS Name: 3-[7-[3-[(2-amino-6-methyl-4-pyrimidinyl)oxy]propyl]-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid IUPAC Name: 3-[7-[3-(2-amino-6-methylpyrimidin-4-yl)oxypropyl]-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid Traditional Name: 3-[7-[3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-diketo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid Formula: C38H35N5O5 MolecularWeight: 641.715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)OCCCC2=CC3=C(C=C2)N(C(=O)C(N(C3=O)C(CC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N)OCCCC2=CC3=C(C=C2)N(C(=O)C(N(C3=O)C(CC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H35N5O5/c1-25-22-33(41-38(39)40-25)48-21-11-12-26-19-20-31-30(23-26)36(46)43(32(24-34(44)45)27-13-5-2-6-14-27)35(28-15-7-3-8-16-28)37(47)42(31)29-17-9-4-10-18-29/h2-10,13-20,22-23,32,35H,11-12,21,24H2,1H3,(H,44,45)(H2,39,40,41)