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Structure

Polymyxin b nonapeptide hydrochloride

CAS
86408-36-8
Catalog Number
ACM86408368
Category
Main Products
Molecular Weight
2392.93
Molecular Formula
C111H194N32O26

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Specification

Synonyms
POLYMYXIN B NONAPEPTIDE HYDROCHLORIDE;polymyxinbnonapeptide;N2-(L-Thr-L-A2bu-)Cyclo(L-A2bu*-L-A2bu-D-Phe-L-Leu-L-A2bu-L-A2bu-L-Thr-);N2-(L-Thr-L-A2bu-)Cyclo(L-A2bu*-L-A2bu-D-Phe-L-Leu-L-A2bu-L-A2bu-Thr-);Nα-(L-Thr-L-A2bu-)Cyclo(L-A2bu*-L-A2bu-D-Phe-L-Leu-L-A2bu-L-A2bu-L-Thr-);PMBN;sPMBN
IUPAC Name
(2S,3R)-2-amino-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide
Canonical SMILES
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(C(C)O)N)C(C)O)CCN)CCN
InChI Key
PYHYGIPVYYRJHU-QWDNBKTCSA-N
Boiling Point
1456.2ºC at 760 mmHg
Flash Point
834.5ºC
Density
1.32g/cm³
Appearance
solid
Exact Mass
962.56600
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