API | cholylsarcosine

cholylsarcosine Report issue

Small molecule Experimental

AACT MeSH PubChem

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Chemistry

Mol. Mass

479.66

ALogP

2.91

Rule of 5

Yes

Rule of 3

No

Details

SMILES: C[C@H](CCC(=O)N(C)CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey: DRRMEMPJCIGHMB-ZNLOGFMMSA-N
InChI=1S/C27H45NO6/c1-15(5-8-23(32)28(4)14-24(33)34)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30/h15-22,25,29-31H,5-14H2,1-4H3,(H,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,25+,26+,27-/m1/s1
Chirality: Single Stereoisomer
Inorganic: No
Polymer: No

Sources

CHEMBL5095508 ChEMBL
cholylsarcosine

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