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

Systemtic Name: ethyl 3-[7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-1-isopropyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[7-[3-[[6-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyrimidinyl]oxy]propyl]-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-1-isopropyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C37H47N5O7 MolecularWeight: 673.79838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCOC3=NC(=NC(=C3)C)NC(=O)OC(C)(C)C)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCOC3=NC(=NC(=C3)C)NC(=O)OC(C)(C)C)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C37H47N5O7/c1-9-47-31(43)21-25(5)42-32(27-15-11-10-12-16-27)34(45)41(23(2)3)29-18-17-26(22-28(29)33(42)44)14-13-19-48-30-20-24(4)38-35(39-30)40-36(46)49-37(6,7)8/h10-12,15-18,20,22-23,25,32H,9,13-14,19,21H2,1-8H3,(H,38,39,40,46)