L2F
Summary
| Name: | N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol |
| Synonyms: | (2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide |
| Formula: | C27 H31 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 493.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H31N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-10-19-9-4-5-12-23(19)25)27(32)29-21(17-31)15-20-16-28-24-13-7-6-11-22(20)24/h4-14,16,18,21,26,28,30-31H,3,15,17H2,1-2H3,(H,29,32)/t18-,21-,26-/m0/s1 |
| InChIKey | InChI | 1.06 | WGQRDHFZEVLIFE-JCWFFFCVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34 |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N[CH](CO)Cc3c[nH]c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)NS(=O)(=O)c3cccc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)C(C(=O)NC(Cc1c[nH]c2c1cccc2)CO)NS(=O)(=O)c3cccc4c3cccc4 |
