(2S)-N-[1-[[(2S,3R,4S)-1-Cyclohexyl-3,4-Dihydroxy-6-Methylheptan-2-Yl]Amino]-1-Oxo-3-(1,3-Thiazol-4-Yl)Propan-2-Yl]-2-[(4-Methylpiperazin-1-Yl)Sulfonylmethyl]-3-Phenylpropanamide
[CAS# 138742-43-5]

Identification

• Name: (2S)-N-[1-[[(2S,3R,4S)-1-Cyclohexyl-3,4-Dihydroxy-6-Methylheptan-2-Yl]Amino]-1-Oxo-3-(1,3-Thiazol-4-Yl)Propan-2-Yl]-2-[(4-Methylpiperazin-1-Yl)Sulfonylmethyl]-3-Phenylpropanamide
• Synonyms: (2S)-N-[2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methyl-Hexyl]Amino]-2-Oxo-1-(Thiazol-4-Ylmethyl)Ethyl]-2-[(4-Methylpiperazin-1-Yl)Sulfonylmethyl]-3-Phenyl-Propanamide; (2S)-N-[2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]Amino]-2-Oxo-1-(4-Thiazolylmethyl)Ethyl]-2-[(4-Methyl-1-Piperazinyl)Sulfonylmethyl]-3-Phenylpropanamide; (2S)-2-(Benzyl)-N-[2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methyl-Hexyl]Amino]-2-Keto-1-(Thiazol-4-Ylmethyl)Ethyl]-3-(4-Methylpiperazin-1-Yl)Sulfonyl-Propionamide
• Molecular Formula: C₃₅H₅₅N₅O₆S₂
• Molecular Weight: 705.97
• CAS Registry Number: 138742-43-5
• SMILES: [C@@H](C(NC(C(=O)N[C@H]([C@H]([C@H](CC(C)C)O)O)CC1CCCCC1)CC2=CSC=N2)=O)(CC3=CC=CC=C3)C[S](=O)(=O)N4CCN(CC4)C
• InChI: 1S/C35H55N5O6S2/c1-25(2)18-32(41)33(42)30(20-27-12-8-5-9-13-27)37-35(44)31(21-29-22-47-24-36-29)38-34(43)28(19-26-10-6-4-7-11-26)23-48(45,46)40-16-14-39(3)15-17-40/h4,6-7,10-11,22,24-25,27-28,30-33,41-42H,5,8-9,12-21,23H2,1-3H3,(H,37,44)(H,38,43)/t28-,30+,31?,32+,33-/m1/s1
• InChIKey: YFDSDRDMDDGDFC-CDBRBZLLSA-N

Properties

• Density: 1.271g/cm³ (Cal.)