Products 58798-97-3

CAS 58798-97-3 appears in our catalog under these names: Berninamycin A, Berninamycin A. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 5mg, 1 mg.

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

Berninamycin A is a cyclic peptide.

Source: ChEBI

Identity
Molecular formulaC51H51N15O15S
Molecular weight1146.1 g/mol
IUPAC name(14S,17Z,27S)-N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-17-ethylidene-14-[(1R)-1-hydroxyethyl]-27-(2-hydroxypropan-2-yl)-20,33-dimethyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatetraconta-1(43),2(7),3,5,8(47),10,18(46),20,31(45),33,41(44)-undecaene-4-carboxamide
InChIKeyCAFFHXXVDGAVPH-DKFXDEMXSA-N
SMILESC/C=C\1/C2=NC(=C(O2)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C6=NC(=CS6)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C(C)(C)O

Computed by PubChem (NCBI)