Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H24N2O5S.Na.H |
| Molecular Weight | 380.435 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[Na+].CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C([O-])=O)C([O-])=O
InChI
InChIKey=QXPBTTUOVWMPJN-QBNHLFMHSA-M
InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C783
Created by
admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
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59511
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m3544
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100000090185
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5428WXZ74M
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SUB01295MIG
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279-694-4
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23663403
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C65329
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T-85
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82128
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DTXSID2046915
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81129-83-1
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5428WXZ74M
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ACTIVE MOIETY
SUBSTANCE RECORD