BOB

(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid


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Chemical Component Summary

Name(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
SynonymsL-gamma-glutamyl-S-[(1S,2R)-2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-cysteinylglycine
Identifiers(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3S,4R)-1,4-dihydroxynonan-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC19 H35 N3 O8 S
Molecular Weight465.562
TypeNON-POLYMER
Isomeric SMILESCCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
InChIInChI=1S/C19H35N3O8S/c1-2-3-4-5-14(24)15(8-9-23)31-11-13(18(28)21-10-17(26)27)22-16(25)7-6-12(20)19(29)30/h12-15,23-24H,2-11,20H2,1H3,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12-,13-,14+,15-/m0/s1
InChIKeyCLEVVMDJDMEQKG-XQLPTFJDSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count4
Bond Count65
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 46173031