188936-07-4
(3S,4AS,8AS)-2-[(2R)-2-[(4S)-2-[3-HYDROXY-2-METHYLPHENYL]-4,5-DIHYDROOXAZOL-4-YL]-2-HYDROXYETHYL]DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
Name
(3S,4AS,8AS)-2-[(2R)-2-[(4S)-2-[3-HYDROXY-2-METHYLPHENYL]-4,5-DIHYDROOXAZOL-4-YL]-2-HYDROXYETHYL]DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
Formula
C26 H39 N3 O4
MolWeight
457.611
1Identification
【Name】
(3S,4AS,8AS)-2-[(2R)-2-[(4S)-2-[3-HYDROXY-2-METHYLPHENYL]-4,5-DIHYDROOXAZOL-4-YL]-2-HYDROXYETHYL]DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
【CAS】
【MDL】
MFCD09751004
【English Synonyms】
【Formula】
C26 H39 N3 O4
【MolWeight】
457.611
【Inchi】
InChI=1S/C26H39N3O4/c1-16-19(10-7-11-22(16)30)25-27-20(15-33-25)23(31)14-29-13-18-9-6-5-8-17(18)12-21(29)24(32)28-26(2,3)4/h7,10-11,17-18,20-21,23,30-31H,5-6,8-9,12-15H2,1-4H3,(H,28,32)/t17-,18+,20-,21-,23+/m0/s1
【InChIKey】
InChIKey=ZRYANTNFGRJTJS-ZEVUWQFRSA-N
【SMILES】
Cc1c(cccc1O)C2=N[C@@H](CO2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3S,4AS,8AS)-2-[(2R)-2-[(4S)-2-[3-HYDROXY-2-METHYLPHENYL]-4,5-DIHYDROOXAZOL-4-YL]-2-HYDROXYETHYL]DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE.cml
Quick Release
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