INF
Summary
Name: | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE |
Formula: | C10 H12 N2 O4 |
Formal charge: | 0 |
Formula weight: | 224.213 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-(hydroxycarbamoyl)-D-phenylalanine |
OpenEye OEToolkits | 1.5.0 | (2R)-2-(hydroxycarbamoylamino)-3-phenyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)NO)Cc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | ONC(=O)N[C@H](Cc1ccccc1)C(O)=O |
SMILES | CACTVS | 3.341 | ONC(=O)N[CH](Cc1ccccc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(=O)O)NC(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | IOFPEOPOAMOMBE-MRVPVSSYSA-N |