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| Ligand Name: ethyl (2E,4S)-4-{[(tert-butoxy)carbonyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB833 |
PubChem:
10903510
|
Synonym(s):
- 328086-54-0
- schembl8051498
- (s,e)-ethyl 4-((tert-butoxycarbonyl)amino)-5-((s)-2-oxopyrrolidin-3-yl)pent-2-enoate
- (2e,4s)-4-(tert-butoxycarbonylamino)-5-[(3s)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester
- (2e,4s)-4-[(tert-butyloxycarbonyl)amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid eethyl ester
- (4s)-4-(tert-butoxycarbonylamino)-5-[(3s)-2-oxo-3alpha-pyrrolidinyl]-2-pentenoic acid ethyl ester
- ethyl (e,4s)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
show 6 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCOC(=O)/C=C/[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CCNC1=O |
| Standard InChI: InChI=1S/C16H26N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,17,20)(H,18,21)/b7-6+/t11-,12+/m0/s1 |
| Molecular Formula: C16H26N2O5 |
Mol. Weight: 326.18417 |
logP: 1.5252 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 93.73 |