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E6C

Summary
Name:N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE
Formula:C15 H28 N2 O5
Formal charge:0
Formula weight:316.393 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S)-3-hydroxy-4-({(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl}amino)-4-oxobutanoic acid
OpenEye OEToolkits1.5.0(3S)-3-hydroxy-4-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxo-pentan-2-yl]amino]-4-oxo-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CC(C)C
SMILES_CANONICALCACTVS3.341CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)CC(O)=O
SMILESCACTVS3.341CC(C)CCNC(=O)[CH](CC(C)C)NC(=O)[CH](O)CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O
SMILESOpenEye OEToolkits1.5.0CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)O
InChIInChI1.03InChI=1S/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1
InChIKeyInChI1.03KBIWEWPGBHKYML-RYUDHWBXSA-N

246704

PDB entries from 2025-12-24

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