2-methylpropyl N-[1-[2-[[1-[[2-[(2-diphenoxyphosphoryloxy-1-phenyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)heptan-3-yl]carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: 2-methylpropyl N-[1-[2-[[1-[[2-[(2-diphenoxyphosphoryloxy-1-phenyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)heptan-3-yl]carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isobutyl N-[1-[4-tert-butoxy-2-[1-[2-[[2-[(2-diphenoxyphosphoryloxy-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]pentylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[1-[2-[[[1-[[2-[(2-diphenoxyphosphoryloxy-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]amino]-oxomethyl]-4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[2-[[1-[[2-[(2-diphenoxyphosphoryloxy-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[4-tert-butoxy-2-[1-[2-[[2-[(2-diphenoxyphosphoryloxy-1-phenyl-ethyl)amino]-2-keto-ethyl]amino]-2-keto-acetyl]pentylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid isobutyl ester Formula: C49H68N5O12P MolecularWeight: 950.064281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)NCC(=O)NC(COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4CC(CN4C(=O)C(C(C)(C)C)NC(=O)OCC(C)C)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)C(=O)NCC(=O)NC(COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4CC(CN4C(=O)C(C(C)(C)C)NC(=O)OCC(C)C)OC(C)(C)C

InChI

InChI=1S/C49H68N5O12P/c1-10-11-27-38(52-44(57)40-28-37(64-49(7,8)9)30-54(40)46(59)43(48(4,5)6)53-47(60)62-31-33(2)3)42(56)45(58)50-29-41(55)51-39(34-21-15-12-16-22-34)32-63-67(61,65-35-23-17-13-18-24-35)66-36-25-19-14-20-26-36/h12-26,33,37-40,43H,10-11,27-32H2,1-9H3,(H,50,58)(H,51,55)(H,52,57)(H,53,60)