LZ6

L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine

Created: 2008-04-17
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count2
Bond Count73
Aromatic Bond Count6
2D diagram of LZ6
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Chemical Component Summary

NameL-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine
SynonymsChlorambucil-Glutathione Conjugate
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[2-[2-chloroethyl-[4-(4-hydroxy-4-oxo-butyl)phenyl]amino]ethylsulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC24 H35 Cl N4 O8 S
Molecular Weight575.075
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCN(c1ccc(cc1)CCCC(=O)O)CCCl
SMILESCACTVS3.341N[CH](CCC(=O)N[CH](CSCCN(CCCl)c1ccc(CCCC(O)=O)cc1)C(=O)NCC(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CCCC(=O)O)N(CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCCl
Canonical SMILESCACTVS3.341 N[C@@H](CCC(=O)N[C@@H](CSCCN(CCCl)c1ccc(CCCC(O)=O)cc1)C(=O)NCC(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl
InChIInChI1.03 InChI=1S/C24H35ClN4O8S/c25-10-11-29(17-6-4-16(5-7-17)2-1-3-21(31)32)12-13-38-15-19(23(35)27-14-22(33)34)28-20(30)9-8-18(26)24(36)37/h4-7,18-19H,1-3,8-15,26H2,(H,27,35)(H,28,30)(H,31,32)(H,33,34)(H,36,37)/t18-,19-/m0/s1
InChIKeyInChI1.03 BQVGPQFUMPRIMA-OALUTQOASA-N

Related Resource References

Resource NameReference
PubChem 24832039