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| Ligand Name: BMS-262084 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB66 |
PubChem:
9802488
|
Synonym(s):
- unii-i0ir71971g
- 253174-92-4
- chembl71037
- i0ir71971g
- 2-azetidinecarboxylic acid, 3-(3-((aminoiminomethyl)amino)propyl)-1-((4-(((1,1-dimethylethyl)amino)carbonyl)-1-piperazinyl)carbonyl)-4-oxo-, (2s,3r)-
- (-)-bms-262084
- bdbm50120368
- bdbm50220841
- sb18716
- q27280202
- (2s,3r)-1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
- (2s,3r)-1-[4-(tert-butylcarbamoyl)piperazine-1-carbonyl]-3-[3-(diaminomethylideneamino)propyl]-4-oxoazetidine-2-carboxylic acid
- (3s,4r)-1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
- (r)-1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
- 253172-74-6
show 14 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL71037 |
| Canonical SMILES: CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O |
| Standard InChI: InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1 |
| Molecular Formula: C18H31N7O5 |
Mol. Weight: 425.23868 |
logP: -0.59303 |
| HBD: 5 | HBA: 5 |
| #Rotatable Bonds: 5 | TPSA: 172.16 |