CAS 2804045-21-2 to numer rejestracyjny substancji Antibacterial agent 158. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
2-[2-[(12S,19S,26Z,29S)-26-ethylidene-12,29-bis[(1R)-1-hydroxyethyl]-14,21,28,31-tetraoxo-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-oxo-1-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]but-2-en-2-yl]-1,3-thiazole-4-carboxamide (CAS 2804045-21-2) to związek chemiczny o wzorze sumarycznym C54H61N15O8S6 i masie molowej 1240.6 g/mol. Nazwa systematyczna IUPAC: 2-[2-[(12S,19S,26Z,29S)-26-ethylidene-12,29-bis[(1R)-1-hydroxyethyl]-14,21,28,31-tetraoxo-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-oxo-1-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]but-2-en-2-yl]-1,3-thiazole-4-carboxamide. InChIKey: WXSJDNRLMOBUOE-SXFFFJMMSA-N.
| Wzór sumaryczny | C54H61N15O8S6 |
|---|---|
| Masa molowa | 1240.6 g/mol |
| Nazwa IUPAC | 2-[2-[(12S,19S,26Z,29S)-26-ethylidene-12,29-bis[(1R)-1-hydroxyethyl]-14,21,28,31-tetraoxo-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-oxo-1-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]but-2-en-2-yl]-1,3-thiazole-4-carboxamide |
| InChIKey | WXSJDNRLMOBUOE-SXFFFJMMSA-N |
| SMILES | C/C=C\1/C2=NC(=CS2)C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C\C)/C(=O)NCCN8CCN(CC8)C(C)C)C9=NC(=CS9)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)[C@@H](C)O)C(C)C |
Dane obliczone przez PubChem (NCBI)