M64
Summary
Name: | (2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid |
Formula: | C10 H18 N2 O3 |
Formal charge: | 0 |
Formula weight: | 214.262 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-[(2~{S})-2-methylpiperidin-1-yl]-4-oxidanylidene-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CCN(C(C)C1)C(CC(C(=O)O)N)=O |
InChI | InChI | 1.03 | InChI=1S/C10H18N2O3/c1-7-4-2-3-5-12(7)9(13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8-/m0/s1 |
InChIKey | InChI | 1.03 | QRGCQWGDUNCKGH-YUMQZZPRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCCN1C(=O)C[C@H](N)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH]1CCCCN1C(=O)C[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCCN1C(=O)CC(C(=O)O)N |