(3S,6S,9S,19R,22S,25R)-31-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-25-(3-aminopropyl)-22-(carboxymethyl)-6-((S)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonaazacyclodotriacontane-16-carboxylic acid

Catalog No. :
ACLQQM394
CAS No. :
123180-72-3
Molecular Formula :
C72H101N17O26
Molecular Weight :
1620.69

IUPAC Name:(3S,6S,9S,19R,22S,25R)-31-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-25-(3-aminopropyl)-22-(carboxymethyl)-6-((S)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonaazacyclodotriacontane-16-carboxylic acid

(3S,6S,9S,19R,22S,25R)-31-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-25-(3-aminopropyl)-22-(carboxymethyl)-6-((S)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonaazacyclodotriacontane-16-carboxylic acid structure diagram
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Product Information

Product Name(3S,6S,9S,19R,22S,25R)-31-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-25-(3-aminopropyl)-22-(carboxymethyl)-6-((S)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonaazacyclodotriacontane-16-carboxylic acid
IUPAC Name(3S,6S,9S,19R,22S,25R)-31-((S)-2-((S)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-25-(3-aminopropyl)-22-(carboxymethyl)-6-((S)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonaazacyclodotriacontane-16-carboxylic acid
Molecular FormulaC72H101N17O26
Molecular Weight1620.69
SMILESCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NC1C(=O)NCC(=O)N[C@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)NC(C(=O)O)CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)C2=CC=CC=C2N)C(=O)OC1C
InChI KeyUPYJMYPKAJFHRN-RGUWCORCSA-N
Synonym9-L-β-Aspartic acid-daptoMycin;UPYJMYPKAJFHRN-CJRIMXPBSA-N;Daptomycin Impurity 1;(3S,6S,9S,19R,22S,25R)-31;Daptomycin Impurity beta-Isomer;Daptomycin, 9-L-β-aspartic acid-;9-L-β-Aspartic acid-daptomycinDiscontinued;Daptomycin β Isomer
CAS No.123180-72-3

Synthetic Route by SureRoute

1. ACLQQM394 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLQQM394 route product structure diagram
    ACLQQM394123180-72-3
Inquiry

2. ACLQQM394 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLQQM394 route product structure diagram
    ACLQQM394123180-72-3
Inquiry

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