UZ4
Summary
Name: | (2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid |
Formula: | C8 H14 N2 O4 |
Formal charge: | 0 |
Formula weight: | 202.208 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid |
OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-3-azanyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(C(O)C(O)=O)CC1CCNC1=O |
InChI | InChI | 1.03 | InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1 |
InChIKey | InChI | 1.03 | YERLKFCTXVNUDF-HCWXCVPCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](C[CH]1CCNC1=O)[CH](O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CNC(=O)C1CC(C(C(=O)O)O)N |