R2Z
Summary
| Name: | N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide |
| Formula: | C16 H29 N6 O7 P |
| Formal charge: | 0 |
| Formula weight: | 448.411 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide |
| OpenEye OEToolkits | 1.7.2 | [(2R,3Z)-3-[(2R)-2-[[(2S)-1-azanyl-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclopentylidene]-2-formamido-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)N)CCCNC(=[N@H])N)C1C(=C/C(NC=O)COP(=O)(O)O)\CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C16H29N6O7P/c17-14(24)13(5-2-6-20-16(18)19)22-15(25)12-4-1-3-10(12)7-11(21-9-23)8-29-30(26,27)28/h7,9,11-13H,1-6,8H2,(H2,17,24)(H,21,23)(H,22,25)(H4,18,19,20)(H2,26,27,28)/b10-7-/t11-,12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | MJUGXILKLYSLII-VOEDMNTOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)NCCC[C@H](NC(=O)[C@@H]\1CCCC\1=C/[C@H](CO[P](O)(O)=O)NC=O)C(N)=O |
| SMILES | CACTVS | 3.370 | NC(=N)NCCC[CH](NC(=O)[CH]1CCCC1=C[CH](CO[P](O)(O)=O)NC=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | [H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1CC(C(=CC(COP(=O)(O)O)NC=O)C1)C(=O)NC(CCCNC(=N)N)C(=O)N |
