Products 1639793-13-7

CAS 1639793-13-7 appears in our catalog under these names: MC-Val-Cit-PAB-clindamycin, 98.31%, 98.31%, MC-Val-Cit-PAB-clindamycin, 99.99%. Offered by: Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 10 mg, 5 mg.

MC-Val-Cit-PAB-clindamycin, 98.31%, 98.31%
Chemat
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 1350.80
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MC-Val-Cit-PAB-clindamycin, 99.99%
MedChemExpress
  • size: 10 mg, 5 mg
  • Variants: 2
from 1801.13
View product
Structural formula: {0} (CAS {1})

(2S,4R)-1-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl]-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidin-1-ium-2-carboxamide (CAS 1639793-13-7) is a chemical compound with the molecular formula C46H72ClN8O11S+ and a molecular weight of 980.6 g/mol. IUPAC name: (2S,4R)-1-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl]-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidin-1-ium-2-carboxamide. InChIKey: KINAEBJVJLCQDX-DCAHZPCSSA-O.

Identity
Molecular formulaC46H72ClN8O11S+
Molecular weight980.6 g/mol
IUPAC name(2S,4R)-1-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl]-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidin-1-ium-2-carboxamide
InChIKeyKINAEBJVJLCQDX-DCAHZPCSSA-O
SMILESCCC[C@@H]1C[C@H]([N+](C1)(C)CC2=CC=C(C=C2)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN3C(=O)C=CC3=O)C(=O)N[C@@H]([C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)SC)O)O)O)[C@H](C)Cl

Computed by PubChem (NCBI)

Synonyms: MC-Val-Cit-PAB-clindamycin, orb1988051