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3ZA

Summary
Name:(4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid
Formula:C9 H16 N2 O6
Formal charge:0
Formula weight:248.233 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid
OpenEye OEToolkits1.7.6(2S,4R)-2-azanyl-4-[3-[methyl(oxidanyl)amino]-3-oxidanylidene-propyl]pentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N(O)C)CCC(C(=O)O)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
InChIKeyInChI1.03YWTXUGAXXGHUOR-RITPCOANSA-N
SMILES_CANONICALCACTVS3.370CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
SMILESCACTVS3.370CN(O)C(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O
SMILESOpenEye OEToolkits1.7.6CN(C(=O)CCC(CC(C(=O)O)N)C(=O)O)O

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数据于2024-07-17公开中

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