2-methylpropyl N-[1-[4-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: 2-methylpropyl N-[1-[4-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isobutyl N-[1-[4-[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]-3-methyl-butyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[1-[4-[[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-5-methyl-1,2-dioxohexan-3-yl]amino]-oxomethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[4-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-5-methyl-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[4-[[1-[2-[[2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]-3-methyl-butyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamic acid isobutyl ester Formula: C38H58N6O8 MolecularWeight: 726.90252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)OCC(C)C

Isomeric SMILES

CC(C)CC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)OCC(C)C

InChI

InChI=1S/C38H58N6O8/c1-21(2)17-25(30(46)33(48)39-18-26(45)41-28(34(49)43(10)11)23-15-13-12-14-16-23)40-32(47)29-27-24(38(27,8)9)19-44(29)35(50)31(37(5,6)7)42-36(51)52-20-22(3)4/h12-16,21-22,24-25,27-29,31H,17-20H2,1-11H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)