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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H58N2O7S
Molecular Weight 614.877
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIUM)-1-PROPANESULFONATE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O

InChI

InChIKey=UMCMPZBLKLEWAF-BCTGSCMUSA-N
InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H58N2O7S
Molecular Weight 614.877
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
QBP25342AG
Record Status Validated (UNII)
Record Version