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

Systemtic Name: ethyl 3-[1-methyl-7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[1-methyl-7-[3-[[6-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyrimidinyl]oxy]propyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[1-methyl-7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C29H39N5O7 MolecularWeight: 569.64926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCOC3=NC(=NC(=C3)C)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCOC3=NC(=NC(=C3)C)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H39N5O7/c1-8-39-25(36)15-19(3)34-17-24(35)33(7)22-12-11-20(16-21(22)26(34)37)10-9-13-40-23-14-18(2)30-27(31-23)32-28(38)41-29(4,5)6/h11-12,14,16,19H,8-10,13,15,17H2,1-7H3,(H,30,31,32,38)