Products 1834513-66-4

CAS 1834513-66-4 is the registry number for Bocodepsin (hydrochloride). Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

S-[(E)-4-[(7S,10S)-4,4-dimethyl-2,5,8,12-tetraoxo-7-propan-2-yl-9-oxa-16-thia-3,6,13,18-tetrazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-10-yl]but-3-enyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride (CAS 1834513-66-4) is a chemical compound with the molecular formula C26H40ClN5O6S2 and a molecular weight of 618.2 g/mol. IUPAC name: S-[(E)-4-[(7S,10S)-4,4-dimethyl-2,5,8,12-tetraoxo-7-propan-2-yl-9-oxa-16-thia-3,6,13,18-tetrazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-10-yl]but-3-enyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride. InChIKey: BGDDCQFFBRHZTO-CVYLVPDPSA-N.

Identity
Molecular formulaC26H40ClN5O6S2
Molecular weight618.2 g/mol
IUPAC nameS-[(E)-4-[(7S,10S)-4,4-dimethyl-2,5,8,12-tetraoxo-7-propan-2-yl-9-oxa-16-thia-3,6,13,18-tetrazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-10-yl]but-3-enyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride
InChIKeyBGDDCQFFBRHZTO-CVYLVPDPSA-N
SMILESCC(C)[C@H]1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)/C=C/CCSC(=O)[C@H](C(C)C)N.Cl

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