ethyl 3-[7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-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)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-[1-benzyl-7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-2,5-dioxo-3-phenyl-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-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[1-benzyl-7-[3-[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-4-yl]oxypropyl]-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoate Traditional Name: 3-[1-benzyl-7-[3-[2-(tert-butoxycarbonylamino)-6-methyl-pyrimidin-4-yl]oxypropyl]-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid ethyl ester Formula: C46H49N5O7 MolecularWeight: 783.91056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)CCCOC4=NC(=NC(=C4)C)NC(=O)OC(C)(C)C)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)CCCOC4=NC(=NC(=C4)C)NC(=O)OC(C)(C)C)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C46H49N5O7/c1-6-56-40(52)29-38(34-20-12-8-13-21-34)51-41(35-22-14-9-15-23-35)43(54)50(30-33-17-10-7-11-18-33)37-25-24-32(28-36(37)42(51)53)19-16-26-57-39-27-31(2)47-44(48-39)49-45(55)58-46(3,4)5/h7-15,17-18,20-25,27-28,38,41H,6,16,19,26,29-30H2,1-5H3,(H,47,48,49,55)