(S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide

Catalog No. :: ACJNWT993
CAS No. :: 811435-10-6
Molecular Formula :: C56H98N16O13
Molecular Weight :: 1203.50

IUPAC Name:(S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide

(S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide structure diagram

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Product Name	(S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide
IUPAC Name	(S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide
Molecular Formula	C56H98N16O13
Molecular Weight	1203.50
SMILES	CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
InChI Key	YAMZKVXJHUGXEM-FHUJKRKBSA-N
Synonym	L-Threonine, (2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-phenylalanyl-L-isoleucyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-, (10→4)-lactam;Polymyxin B1-1;Polymyxin B1-I;Polymyxin B1-I TFA Salt;L-Threonine,(2S)-4-amino-2-[[(6S)-6-methyl-1-oxooctyl]amino]butanoyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobuChemicalbooktanoyl-(2S)-2,4-diaminobutanoyl-D-phenylalanyl-L-isoleucyl-(2S)-2;Polycolistin B1-1
CAS No.	811435-10-6

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Synthetic Route by SureRoute

1. ACJNWT993 Molecular Building Block Synthetic Route

2. ACJNWT993 Molecular Building Block Synthetic Route

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Synthetic Route by SureRoute

Polymyxin B

(2S,3R)-2-amino-N-((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)-3-hydroxybutanamide

(2S,3R)-2-Amino-N-((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)-3-hydroxybutanamide 2,2,2-trifluoroacetate

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