U17
Summary
| Name: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-L-SERYL-L-LEUCINATE |
| Synonyms: | 2-[2-(3-AMINO-2-HYDROXY-HEPTANOYLAMINO)-3-HYDROXY-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER |
| Formula: | C17 H33 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 375.46 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl N-[(2S,3R)-3-amino-2-hydroxyheptanoyl]-L-seryl-L-leucinate |
| OpenEye OEToolkits | 1.5.0 | methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-heptanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)OC)CC(C)C)C(NC(=O)C(O)C(N)CCCC)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC |
| SMILES | CACTVS | 3.341 | CCCC[CH](N)[CH](O)C(=O)N[CH](CO)C(=O)N[CH](CC(C)C)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(C(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)OC)O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H33N3O6/c1-5-6-7-11(18)14(22)16(24)20-13(9-21)15(23)19-12(8-10(2)3)17(25)26-4/h10-14,21-22H,5-9,18H2,1-4H3,(H,19,23)(H,20,24)/t11-,12+,13+,14+/m1/s1 |
| InChIKey | InChI | 1.03 | ZERLQNOHSLWIIV-RFGFWPKPSA-N |
