S8H

(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid

Created: 2020-11-11
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count2
Bond Count45
Aromatic Bond Count0
2D diagram of S8H
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid
FormulaC13 H23 N3 O6 S
Molecular Weight349.403
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)OC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C)OC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N
Canonical SMILESCACTVS3.385 CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C13H23N3O6S/c1-7(2)22-11(18)5-15-12(19)9(6-23)16-10(17)4-3-8(14)13(20)21/h7-9,23H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)/t8-,9+/m0/s1
InChIKeyInChI1.03 MVNCPACIPXNJIW-DTWKUNHWSA-N

Related Resource References

Resource NameReference
PubChem 13960589