ethyl 3-[7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-[7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-1-isopropyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate CAS Name: 3-[7-[3-[[6-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyrimidinyl]oxy]propyl]-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoate Traditional Name: 3-[7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-1-isopropyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid ethyl ester Formula: C36H45N5O7 MolecularWeight: 659.7718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)CCCOC4=NC(=NC(=C4)C)NC(=O)OC(C)(C)C)C(C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)CCCOC4=NC(=NC(=C4)C)NC(=O)OC(C)(C)C)C(C)C

InChI

InChI=1S/C36H45N5O7/c1-8-46-32(43)21-29(26-14-10-9-11-15-26)40-22-31(42)41(23(2)3)28-17-16-25(20-27(28)33(40)44)13-12-18-47-30-19-24(4)37-34(38-30)39-35(45)48-36(5,6)7/h9-11,14-17,19-20,23,29H,8,12-13,18,21-22H2,1-7H3,(H,37,38,39,45)