(2S,5S,8S,11S,14S,17S,20S,23S)-5-(2-carboxyethyl)-14-(carboxymethyl)-23-((6S,9S,12S,15S,18S,21S,24S,27S)-1,6-diamino-12-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15-((S)-sec-butyl)-1-imino-24,27-diisobutyl-9,21-bis(2-(methylthio)ethyl)-7,10,13,16,19,22,25-heptaoxo-2,8,11,14,17,20,23,26-octaazaoctacosan-28-amido)-2-(3-guanidinopropyl)-11-(4-hydroxybenzyl)-8-isobutyl-17,20-dimethyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosanedioic acid

Catalog No. :
ACLSXH382
CAS No. :
880150-82-3
Molecular Formula :
C84H140N24O26S2
Molecular Weight :
1966.32

IUPAC Name:(2S,5S,8S,11S,14S,17S,20S,23S)-5-(2-carboxyethyl)-14-(carboxymethyl)-23-((6S,9S,12S,15S,18S,21S,24S,27S)-1,6-diamino-12-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15-((S)-sec-butyl)-1-imino-24,27-diisobutyl-9,21-bis(2-(methylthio)ethyl)-7,10,13,16,19,22,25-heptaoxo-2,8,11,14,17,20,23,26-octaazaoctacosan-28-amido)-2-(3-guanidinopropyl)-11-(4-hydroxybenzyl)-8-isobutyl-17,20-dimethyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosanedioic acid

(2S,5S,8S,11S,14S,17S,20S,23S)-5-(2-carboxyethyl)-14-(carboxymethyl)-23-((6S,9S,12S,15S,18S,21S,24S,27S)-1,6-diamino-12-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15-((S)-sec-butyl)-1-imino-24,27-diisobutyl-9,21-bis(2-(methylthio)ethyl)-7,10,13,16,19,22,25-heptaoxo-2,8,11,14,17,20,23,26-octaazaoctacosan-28-amido)-2-(3-guanidinopropyl)-11-(4-hydroxybenzyl)-8-isobutyl-17,20-dimethyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosanedioic acid structure diagram
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Product Information

Product Name(2S,5S,8S,11S,14S,17S,20S,23S)-5-(2-carboxyethyl)-14-(carboxymethyl)-23-((6S,9S,12S,15S,18S,21S,24S,27S)-1,6-diamino-12-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15-((S)-sec-butyl)-1-imino-24,27-diisobutyl-9,21-bis(2-(methylthio)ethyl)-7,10,13,16,19,22,25-heptaoxo-2,8,11,14,17,20,23,26-octaazaoctacosan-28-amido)-2-(3-guanidinopropyl)-11-(4-hydroxybenzyl)-8-isobutyl-17,20-dimethyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosanedioic acid
IUPAC Name(2S,5S,8S,11S,14S,17S,20S,23S)-5-(2-carboxyethyl)-14-(carboxymethyl)-23-((6S,9S,12S,15S,18S,21S,24S,27S)-1,6-diamino-12-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15-((S)-sec-butyl)-1-imino-24,27-diisobutyl-9,21-bis(2-(methylthio)ethyl)-7,10,13,16,19,22,25-heptaoxo-2,8,11,14,17,20,23,26-octaazaoctacosan-28-amido)-2-(3-guanidinopropyl)-11-(4-hydroxybenzyl)-8-isobutyl-17,20-dimethyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosanedioic acid
Molecular FormulaC84H140N24O26S2
Molecular Weight1966.32
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
InChI KeyZBAJHFNGYUVVPZ-ZJZZMTSFSA-N
SynonymL-Arginine, L-arginyl-L-methionyl-L-asparaginyl-L-isoleucyl-L-glutaminyl-L-methionyl-L-leucyl-L-leucyl-L-α-glutamyl-L-alanyl-L-alanyl-L-α-aspartyl-L-tyrosyl-L-leucyl-L-α-glutamyl- (9CI);Mad1 (6-21)
CAS No.880150-82-3

Synthetic Route by SureRoute

1. ACLSXH382 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLSXH382 route product structure diagram
    ACLSXH382880150-82-3
Inquiry

2. ACLSXH382 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLSXH382 route product structure diagram
    ACLSXH382880150-82-3
Inquiry

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