3BP-4089

cas: 2581199-35-9 — see every product listed under this CAS number, including other names

3BP-4089 (CAS 2581199-35-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2581199-35-9
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Structural formula: {0} (CAS {1})

(5R,11S,17S,20S,23S,26S,29R)-35-(2-aminoethylsulfanylmethyl)-23-(3-amino-3-oxopropyl)-26-benzyl-5-(hexanoylamino)-20-[(1R)-1-hydroxyethyl]-6,12,18,21,24,27-hexaoxo-3,31-dithia-7,13,19,22,25,28-hexazatetracyclo[31.3.1.07,11.013,17]heptatriaconta-1(37),33,35-triene-29-carboxylic acid (CAS 2581199-35-9) is a chemical compound with the molecular formula C51H73N9O11S3 and a molecular weight of 1084.4 g/mol. IUPAC name: (5R,11S,17S,20S,23S,26S,29R)-35-(2-aminoethylsulfanylmethyl)-23-(3-amino-3-oxopropyl)-26-benzyl-5-(hexanoylamino)-20-[(1R)-1-hydroxyethyl]-6,12,18,21,24,27-hexaoxo-3,31-dithia-7,13,19,22,25,28-hexazatetracyclo[31.3.1.07,11.013,17]heptatriaconta-1(37),33,35-triene-29-carboxylic acid. InChIKey: CDSFGSJHCFZWEI-TYTYIUBBSA-N.

Identity
Molecular formulaC51H73N9O11S3
Molecular weight1084.4 g/mol
IUPAC name(5R,11S,17S,20S,23S,26S,29R)-35-(2-aminoethylsulfanylmethyl)-23-(3-amino-3-oxopropyl)-26-benzyl-5-(hexanoylamino)-20-[(1R)-1-hydroxyethyl]-6,12,18,21,24,27-hexaoxo-3,31-dithia-7,13,19,22,25,28-hexazatetracyclo[31.3.1.07,11.013,17]heptatriaconta-1(37),33,35-triene-29-carboxylic acid
InChIKeyCDSFGSJHCFZWEI-TYTYIUBBSA-N
SMILESCCCCCC(=O)N[C@H]1CSCC2=CC(=CC(=C2)CSCCN)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C1=O)[C@@H](C)O)CCC(=O)N)CC5=CC=CC=C5)C(=O)O

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