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Product Overview

Product Code

TRC-D193355

Product Format

Neat

Molecular Formula

C44H66N10O15 • (C2HF3O2)

Molecular Weight

975.0511402

API Family

Daptomycin

Product Categories

TRC, Antibacterial, Antibiotics, Interferes with cell membrane permeability (Ionophores), Impurity Reference Materials , Other antibacterials, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Daptomycin Impurity B1-I

Molecular Formula

C44H66N10O15 • (C2HF3O2)

Molecular Weight

975.0511402

SMILES

O=C(CCCCCCCCC)N[C@H](C(N[C@H](CC(N)=O)C(N[C@@H](CC(O)=O)C(NC(C(NCC(N[C@@H](CCCN)C(NC(CC(O)=O)C(O)=O)=O)=O)=O)C(O)C)=O)=O)=O)CC1=CNC2=C1C=CC=C2.F[C](F)F.O=CO

InChI

InChI=1S/C44H66N10O15.CHF3.CH2O2/c1-3-4-5-6-7-8-9-16-34(57)50-29(18-25-22-47-27-14-11-10-13-26(25)27)40(64)51-30(19-33(46)56)41(65)52-31(20-36(59)60)42(66)54-38(24(2)55)43(67)48-23-35(58)49-28(15-12-17-45)39(63)53-32(44(68)69)21-37(61)62;2-1(3)4;2-1-3/h10-11,13-14,22,24,28-32,38,47,55H,3-9,12,15-21,23,45H2,1-2H3,(H2,46,56)(H,48,67)(H,49,58)(H,50,57)(H,51,64)(H,52,65)(H,53,63)(H,54,66)(H,59,60)(H,61,62)(H,68,69);1H;1H,(H,2,3)/t24?,28-,29-,30+,31-,32?,38?;;/m0../s1

IUPAC

2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-2-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]amino]butanedioic acid;fluoroform;formic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Daptomycin

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