99T

L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine

Created:	2013-01-03
Last modified:	2020-06-05

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1 entries where 99T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	2
Bond Count	45
Aromatic Bond Count	0

2D diagram of 99T

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Chemical Component Summary
Name	L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine
Synonyms	S-(propanoic acid)glutathione
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-3-(3-hydroxy-3-oxopropylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Formula	C₁₃ H₂₁ N₃ O₈ S
Molecular Weight	379.386
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(C(=O)NCC(=O)O)CSCCC(=O)O)CCC(C(=O)O)N
SMILES	CACTVS	3.370	N[CH](CCC(=O)N[CH](CSCCC(O)=O)C(=O)NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CC(=O)NC(CSCCC(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CCC(=O)N[C@@H](CSCCC(O)=O)C(=O)NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C13H21N3O8S/c14-7(13(23)24)1-2-9(17)16-8(6-25-4-3-10(18)19)12(22)15-5-11(20)21/h7-8H,1-6,14H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1
InChIKey	InChI	1.03	ILLXYSCGSHMUFK-YUMQZZPRSA-N

Related Resource References

Resource Name	Reference
PubChem	70701341

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