methyl N-[1-[[5-[[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-1-phenyl-6-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3-methyl-3-[(R)-methylsulfinyl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: methyl N-[1-[[5-[[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-1-phenyl-6-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3-methyl-3-[(R)-methylsulfinyl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: methyl N-[1-[[1-benzyl-2-hydroxy-4-[[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-5-[4-(2-pyridyl)phenyl]pentyl]carbamoyl]-2-methyl-2-[(R)-methylsulfinyl]propyl]carbamate CAS Name: N-[1-[[3-hydroxy-5-[[2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]amino]-1-phenyl-6-[4-(2-pyridinyl)phenyl]hexan-2-yl]amino]-3-methyl-3-[(R)-methylsulfinyl]-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[[3-hydroxy-5-[[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-1-phenyl-6-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3-methyl-3-[(R)-methylsulfinyl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[[1-benzyl-4-[[2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]amino]-2-hydroxy-5-[4-(2-pyridyl)phenyl]pentyl]carbamoyl]-2-methyl-2-[(R)-methylsulfinyl]propyl]carbamic acid methyl ester Formula: C39H53N5O8S MolecularWeight: 751.93182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=N2)CC(C(CC3=CC=CC=C3)NC(=O)C(C(C)(C)S(=O)C)NC(=O)OC)O)NC(=O)OC

Isomeric SMILES

CC(C)(C)C(C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=N2)CC(C(CC3=CC=CC=C3)NC(=O)C(C(C)(C)[S@](=O)C)NC(=O)OC)O)NC(=O)OC

InChI

InChI=1S/C39H53N5O8S/c1-38(2,3)32(43-36(48)51-6)34(46)41-28(22-26-17-19-27(20-18-26)29-16-12-13-21-40-29)24-31(45)30(23-25-14-10-9-11-15-25)42-35(47)33(44-37(49)52-7)39(4,5)53(8)50/h9-21,28,30-33,45H,22-24H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t28?,30?,31?,32?,33?,53-/m1/s1