LGG

N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE

Created: 2006-10-13
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count103
Chiral Atom Count5
Bond Count103
Aromatic Bond Count6
2D diagram of LGG
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Chemical Component Summary

NameN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE
Systematic Name (OpenEye OEToolkits)(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-hydroxy-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-7-amino-7-oxo-heptanoic acid
FormulaC34 H51 N7 O11
Molecular Weight733.809
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O
SMILESCACTVS3.341CC(C)C[CH](NC(=O)[CH](CCC(N)=O)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(C)=O)C(=O)N[CH](CCC(N)=O)CCC(O)=O
SMILESOpenEye OEToolkits1.5.0CC(C)CC(C(=O)NC(CCC(=O)N)CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C
Canonical SMILESCACTVS3.341 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)CCC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C
InChIInChI1.03 InChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1
InChIKeyInChI1.03 IDWPNCOZKNRFJZ-LROMGURASA-N

Related Resource References

Resource NameReference
PubChem 49867237