SVZ
O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPHORYL]-L-SERINE
Created: | 2007-02-13 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 2 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPHORYL]-L-SERINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-3-[hydroxy-(propan-2-ylamino)phosphoryl]oxy-propanoic acid |
Formula | C6 H15 N2 O5 P |
Molecular Weight | 226.167 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(OCC(N)C(=O)O)NC(C)C |
SMILES | CACTVS | 3.341 | CC(C)N[P](O)(=O)OC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)NP(=O)(O)OCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | CC(C)N[P@](O)(=O)OC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)N[P@@](=O)(O)OC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H15N2O5P/c1-4(2)8-14(11,12)13-3-5(7)6(9)10/h4-5H,3,7H2,1-2H3,(H,9,10)(H2,8,11,12)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | UFRVALQULWCEQX-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867697 |