(2S)-N-[(2S)-1-[[(2S,4S)-1-Cyclohexyl-4-Cyclopropyl-3,4-Dihydroxybutan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-2-[(2-Methyl-1-Morpholin-4-Yl-1-Oxopropan-2-Yl)Sulfonylmethyl]-3-Phenylpropanamide
[CAS# 143631-62-3]

Identification

• Name: (2S)-N-[(2S)-1-[[(2S,4S)-1-Cyclohexyl-4-Cyclopropyl-3,4-Dihydroxybutan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-2-[(2-Methyl-1-Morpholin-4-Yl-1-Oxopropan-2-Yl)Sulfonylmethyl]-3-Phenylpropanamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S,3S)-1-(Cyclohexylmethyl)-3-Cyclopropyl-2,3-Dihydroxy-Propyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-2-[(1,1-Dimethyl-2-Morpholino-2-Oxo-Ethyl)Sulfonylmethyl]-3-Phenyl-Propanamide; (2S)-N-[(1S)-2-[[(1S,3S)-1-(Cyclohexylmethyl)-3-Cyclopropyl-2,3-Dihydroxypropyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-2-[(1,1-Dimethyl-2-Morpholino-2-Oxoethyl)Sulfonylmethyl]-3-Phenylpropanamide; (2S)-2-(Benzyl)-N-[(1S)-2-[[(1S,3S)-1-(Cyclohexylmethyl)-3-Cyclopropyl-2,3-Dihydroxy-Propyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-3-(2-Keto-1,1-Dimethyl-2-Morpholino-Ethyl)Sulfonyl-Propionamide
• Molecular Formula: C₃₇H₅₅N₅O₈S
• Molecular Weight: 729.93
• CAS Registry Number: 143631-62-3
• SMILES: [C@@H](C[S](=O)(=O)C(C(N1CCOCC1)=O)(C)C)(C(N[C@H](C(N[C@H](C([C@H](C2CC2)O)O)CC3CCCCC3)=O)CC4=CN=C[NH]4)=O)CC5=CC=CC=C5
• InChI: 1S/C37H55N5O8S/c1-37(2,36(47)42-15-17-50-18-16-42)51(48,49)23-28(19-25-9-5-3-6-10-25)34(45)41-31(21-29-22-38-24-39-29)35(46)40-30(20-26-11-7-4-8-12-26)33(44)32(43)27-13-14-27/h3,5-6,9-10,22,24,26-28,30-33,43-44H,4,7-8,11-21,23H2,1-2H3,(H,38,39)(H,40,46)(H,41,45)/t28-,30+,31+,32+,33?/m1/s1
• InChIKey: PODHJNNUGIBMOP-WPDGBYSOSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 1084.233°C at 760 mmHg (Cal.)
• Flash point: 609.522°C (Cal.)