(2S)-3-(2-Amino-1,3-Thiazol-4-Yl)-2-[[(2S,3R,4S)-1-Cyclohexyl-3,4-Dihydroxy-6-Methylheptan-2-Yl]Amino]-N-[(2S)-2-(Morpholin-4-Ylsulfonylamino)-3-Phenylpropanoyl]Propanamide
[CAS# 135704-06-2]

Identification

• Name: (2S)-3-(2-Amino-1,3-Thiazol-4-Yl)-2-[[(2S,3R,4S)-1-Cyclohexyl-3,4-Dihydroxy-6-Methylheptan-2-Yl]Amino]-N-[(2S)-2-(Morpholin-4-Ylsulfonylamino)-3-Phenylpropanoyl]Propanamide
• Synonyms: (2S)-3-(2-Aminothiazol-4-Yl)-2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methyl-Hexyl]Amino]-N-[(2S)-2-(Morpholinosulfonylamino)-3-Phenyl-Propanoyl]Propanamide; (2S)-3-(2-Amino-4-Thiazolyl)-2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]Amino]-N-[(2S)-2-(Morpholinosulfonylamino)-1-Oxo-3-Phenylpropyl]Propanamide; (2S)-3-(2-Aminothiazol-4-Yl)-2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methyl-Hexyl]Amino]-N-[(2S)-2-(Morpholinosulfonylamino)-3-Phenyl-Propanoyl]Propionamide
• Molecular Formula: C₃₃H₅₂N₆O₇S₂
• Molecular Weight: 708.93
• CAS Registry Number: 135704-06-2
• SMILES: [C@H](C(=O)NC([C@@H](N[S](=O)(=O)N1CCOCC1)CC2=CC=CC=C2)=O)(N[C@H]([C@H]([C@H](CC(C)C)O)O)CC3CCCCC3)CC4=CSC(=N4)N
• InChI: 1S/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-27(20-25-21-47-33(34)35-25)31(42)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,36,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,37,42,43)/t26-,27-,28-,29-,30+/m0/s1
• InChIKey: IYMYORIPWWCOOB-VFFRCKCKSA-N

Properties

• Density: 1.329g/cm³ (Cal.)