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Summary

Name:O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine
Formula:C8 H16 N2 O7
Formal charge:0
Molecular weight:252.222 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine
OpenEye OEToolkits2.0.7(2~{S})-2-azanyl-4-[(2~{R},3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-4,4-bis(oxidanyl)butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C
InChIInChI1.03InChI=1S/C8H16N2O7/c1-3(5(10)7(13)14)17-8(15,16)2-4(9)6(11)12/h3-5,15-16H,2,9-10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+/m1/s1
InChIKeyInChI1.03IXNIAZLULGXEOE-WISUUJSJSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](OC(O)(O)C[C@H](N)C(O)=O)[C@H](N)C(O)=O
SMILESCACTVS3.385C[CH](OC(O)(O)C[CH](N)C(O)=O)[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O
SMILESOpenEye OEToolkits2.0.7CC(C(C(=O)O)N)OC(CC(C(=O)O)N)(O)O