3-[7-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropyl]-2,5-bis(oxidanylidene)-1-(phenylmethyl)-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-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid Openeye Name: 3-[7-[3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropyl]-1-benzyl-2,5-dioxo-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-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid IUPAC Name: 3-[7-[3-(2-amino-6-methylpyrimidin-4-yl)oxypropyl]-1-benzyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid Traditional Name: 3-[7-[3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropyl]-1-benzyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid Formula: C33H33N5O5 MolecularWeight: 579.64562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)OCCCC2=CC3=C(C=C2)N(C(=O)CN(C3=O)C(CC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)N)OCCCC2=CC3=C(C=C2)N(C(=O)CN(C3=O)C(CC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H33N5O5/c1-22-17-29(36-33(34)35-22)43-16-8-11-23-14-15-27-26(18-23)32(42)38(28(19-31(40)41)25-12-6-3-7-13-25)21-30(39)37(27)20-24-9-4-2-5-10-24/h2-7,9-10,12-15,17-18,28H,8,11,16,19-21H2,1H3,(H,40,41)(H2,34,35,36)