A1L3W
Summary
| Name: | streptothrisamine |
| Synonyms: | [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{Z})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-azanyl-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate |
| Formula: | C13 H22 N6 O7 |
| Formal charge: | 0 |
| Formula weight: | 374.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{Z})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-azanyl-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H22N6O7/c14-5-8(22)9(26-12(15)24)4(2-20)25-11(5)19-13-17-6-3(21)1-16-10(23)7(6)18-13/h3-9,11,20-22H,1-2,14H2,(H2,15,24)(H,16,23)(H2,17,18,19)/t3-,4-,5-,6-,7+,8+,9+,11-/m1/s1 |
| InChIKey | InChI | 1.06 | GQLPHXXLSAMAOV-ATHMYKBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1N=C2N[C@@H]3[C@H](O)CNC(=O)[C@H]3N2 |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1N=C2N[CH]3[CH](O)CNC(=O)[CH]3N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]2[C@@H](C(=O)N1)N/C(=N\[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)N)/N2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C2C(C(=O)N1)NC(=NC3C(C(C(C(O3)CO)OC(=O)N)O)N)N2)O |
