FK3
Summary
Name: | (3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
Formula: | C18 H29 N3 O4 |
Formal charge: | 0 |
Formula weight: | 351.441 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H29N3O4/c1-2-4-14(16(23)18(25)19-12-7-8-12)20-17(24)15-13-6-3-5-11(13)9-21(15)10-22/h10-16,23H,2-9H2,1H3,(H,19,25)(H,20,24)/t11-,13-,14-,15-,16+/m0/s1 |
InChIKey | InChI | 1.03 | QNPKORKCVLMDCG-VLVIQNCWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C=O)[C@@H](O)C(=O)NC3CC3 |
SMILES | CACTVS | 3.385 | CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C=O)[CH](O)C(=O)NC3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3CCCC3CN2C=O |