Produkty 174885-02-0
CAS 174885-02-0 to numer rejestracyjny substancji N-Ac-γ-Calicheamicin-AcBut-NHS ester, 95.62%. Oferty producentów: MedChemExpress. Dostępne opakowania: 1 mg.
(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[(2E)-2-[(2S,5Z,9R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,4S,5S)-5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-5-[[(2S,4S,5S,6R)-5-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzoyl]sulfanyl-4-hydroxy-6-methyloxan-2-yl]oxyamino]-4-hydroxy-6-methyloxan-2-yl]oxy-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-13-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynylidene]ethyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]phenoxy]butanoate (CAS 174885-02-0) to związek chemiczny o wzorze sumarycznym C77H99IN6O28S3 i masie molowej 1779.7 g/mol. Nazwa systematyczna IUPAC: (2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[(2E)-2-[(2S,5Z,9R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,4S,5S)-5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-5-[[(2S,4S,5S,6R)-5-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzoyl]sulfanyl-4-hydroxy-6-methyloxan-2-yl]oxyamino]-4-hydroxy-6-methyloxan-2-yl]oxy-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-13-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynylidene]ethyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]phenoxy]butanoate. InChIKey: FGVZNSWVGYYQPI-UZFIWLAZSA-N.
| Wzór sumaryczny | C77H99IN6O28S3 |
|---|---|
| Masa molowa | 1779.7 g/mol |
| Nazwa IUPAC | (2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[(2E)-2-[(2S,5Z,9R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,4S,5S)-5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-5-[[(2S,4S,5S,6R)-5-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzoyl]sulfanyl-4-hydroxy-6-methyloxan-2-yl]oxyamino]-4-hydroxy-6-methyloxan-2-yl]oxy-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-13-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynylidene]ethyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]phenoxy]butanoate |
| InChIKey | FGVZNSWVGYYQPI-UZFIWLAZSA-N |
| SMILES | CCN([C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@@]\4(CC(=O)C(=C3/C4=C\CSSC(C)(C)CC(=O)N/N=C(\C)/C5=CC=C(C=C5)OCCCC(=O)ON6C(=O)CCC6=O)NC(=O)OC)O)C)NO[C@H]7C[C@@H]([C@@H]([C@H](O7)C)SC(=O)C8=C(C(=C(C(=C8OC)OC)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)OC)O)I)C)O)O)C(=O)C |
Dane obliczone przez PubChem (NCBI)