6SI
Summary
Name: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide |
Formula: | C14 H23 N8 O2 S |
Formal charge: | 1 |
Formula weight: | 367.45 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | azanyl-[[2-[2-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]carbonylamino]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxidanylidene-ethyl]amino]azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H22N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h8-9,15,17,20H,1-7,16H2,(H,18,19,24)/p+1/b15-8+/t9-/m0/s1 |
InChIKey | InChI | 1.03 | SIHVOGFUBUCGRF-HVIDBACLSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[C@H]3CCN(C3)C=N)sc2C1 |
SMILES | CACTVS | 3.385 | N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[CH]3CCN(C3)C=N)sc2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C/N1CC[C@@H](C1)C(=O)Nc2nc3c(s2)CN(CC3)C(=O)CN[NH2+]N |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CN(Cc2c1nc(s2)NC(=O)C3CCN(C3)C=N)C(=O)CN[NH2+]N |