Produkty 1609108-96-4
CAS 1609108-96-4 to numer rejestracyjny substancji MC-VC-PAB-Cyclohexanediamine-Thailanstatin A, 92.11%. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[2-[[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]cyclohexyl]amino]-2-oxoethyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate (CAS 1609108-96-4) to związek chemiczny o wzorze sumarycznym C63H91N9O16 i masie molowej 1230.4 g/mol. Nazwa systematyczna IUPAC: [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[2-[[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]cyclohexyl]amino]-2-oxoethyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate. InChIKey: CKPPCPQHYNWMCT-PEVYRQIWSA-N.
| Wzór sumaryczny | C63H91N9O16 |
|---|---|
| Masa molowa | 1230.4 g/mol |
| Nazwa IUPAC | [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[2-[[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]cyclohexyl]amino]-2-oxoethyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate |
| InChIKey | CKPPCPQHYNWMCT-PEVYRQIWSA-N |
| SMILES | C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@]3(C[C@H](O2)CC(=O)NC4CCC(CC4)NC(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN6C(=O)C=CC6=O)CO3)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C |
Dane obliczone przez PubChem (NCBI)