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

Systemtic Name: methyl N-[(2S)-1-[[(2R,4S,5S)-5-[[(2S)-2-[1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]-3,3-dimethyl-butanoyl]amino]-4-oxidanyl-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: methyl N-[(1S)-1-[[(1R,3S,4S)-4-[[(2S)-2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3-dimethyl-butanoyl]amino]-3-hydroxy-5-phenyl-1-[[4-(2-pyridyl)phenyl]methyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(2R,4S,5S)-5-[[(2S)-2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3-dimethyl-1-oxobutyl]amino]-4-hydroxy-6-phenyl-1-[4-(2-pyridinyl)phenyl]hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-1-[[(2R,4S,5S)-5-[[(2S)-2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutanoyl]amino]-4-hydroxy-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1R,3S,4S)-4-[[(2S)-2-(1,1-diketo-1,2,5-thiadiazolidin-2-yl)-3,3-dimethyl-butanoyl]amino]-3-hydroxy-5-phenyl-1-[4-(2-pyridyl)benzyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester Formula: C39H54N6O7S MolecularWeight: 750.94706

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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)C)N4CCNS4(=O)=O)O)NC(=O)OC

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N[C@H](CC1=CC=C(C=C1)C2=CC=CC=N2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)C)N4CCNS4(=O)=O)O)NC(=O)OC

InChI

InChI=1S/C39H54N6O7S/c1-38(2,3)33(44-37(49)52-7)35(47)42-29(23-27-16-18-28(19-17-27)30-15-11-12-20-40-30)25-32(46)31(24-26-13-9-8-10-14-26)43-36(48)34(39(4,5)6)45-22-21-41-53(45,50)51/h8-20,29,31-34,41,46H,21-25H2,1-7H3,(H,42,47)(H,43,48)(H,44,49)/t29-,31+,32+,33-,34-/m1/s1