JG3
Summary
Name: | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline |
Formula: | C15 H22 N2 O3 |
Formal charge: | 0 |
Formula weight: | 278.347 Da |
Component type: | peptide-like |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline |
OpenEye OEToolkits | 1.7.0 | (1R,2S)-1-[(2S,3S)-3-azanyl-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@@H](O)CN2CCC[C@H]2C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[CH](O)CN2CCC[CH]2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C(=O)O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(C(CN2CCCC2C(=O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1 |
InChIKey | InChI | 1.03 | NKKTYSQFSAXDJG-IHRRRGAJSA-N |