SD2
Summary
| Name: | N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE |
| Formula: | C21 H30 N4 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 482.617 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(sulfanylacetyl)-L-tyrosyl-L-prolyl-L-methioninamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxo-butan-2-yl]-1-[(2S)-3-(4-hydroxyphenyl)-2-(2-sulfanylethanoylamino)propanoyl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)N)CCSC)C2N(C(=O)C(NC(=O)CS)Cc1ccc(O)cc1)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS)C(N)=O |
| SMILES | CACTVS | 3.341 | CSCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](Cc2ccc(O)cc2)NC(=O)CS)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CS |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C(Cc2ccc(cc2)O)NC(=O)CS |
| InChI | InChI | 1.03 | InChI=1S/C21H30N4O5S2/c1-32-10-8-15(19(22)28)24-20(29)17-3-2-9-25(17)21(30)16(23-18(27)12-31)11-13-4-6-14(26)7-5-13/h4-7,15-17,26,31H,2-3,8-12H2,1H3,(H2,22,28)(H,23,27)(H,24,29)/t15-,16-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | LNLWXWOYQHAKTD-ULQDDVLXSA-N |
