9CI
N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide
Created: | 2021-11-17 |
Last modified: | 2022-11-16 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 63 |
Chiral Atom Count | 1 |
Bond Count | 65 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide |
Synonyms | N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide |
Formula | C25 H34 N2 O2 |
Molecular Weight | 394.55 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O[CH](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CC(=O)NCC(CNCC2CCCCC2)O)c3ccccc3 |
Canonical SMILES | CACTVS | 3.385 | O[C@@H](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CC(=O)NC[C@H](CNCC2CCCCC2)O)c3ccccc3 |
InChI | InChI | 1.06 | InChI=1S/C25H34N2O2/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)/t23-/m0/s1 |
InChIKey | InChI | 1.06 | AGQFRFDHZZBREO-QHCPKHFHSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 165430612 |