9NR
Summary
| Name: | DANSYL-L-ARGININE |
| Formula: | C18 H25 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 407.487 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-arginine |
| OpenEye OEToolkits | 1.6.1 | (2S)-5-carbamimidamido-2-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O |
| SMILES | CACTVS | 3.352 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCCNC(N)=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | HRBPBWKDJGGGCX-AWEZNQCLSA-N |
