A1H2E
Summary
| Name: | 1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine |
| Formula: | C17 H24 N4 O3 P |
| Formal charge: | 1 |
| Formula weight: | 363.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | HAWUDUJVQROPQS-MRXNPFEDSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2 |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OP(=O)([C@H](CCCNC(=[NH2+])N)N)Oc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OP(=O)(C(CCCNC(=[NH2+])N)N)Oc2ccccc2 |
