Account (2S,5S,8S,11S,14S,23S)-23-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S)-21,45-bis((1H-indol-3-yl)methyl)-1,6-diamino-30-(2-amino-2-oxoethyl)-9,27-bis(3-amino-3-oxopropyl)-15,42,48,51-tetrakis(4-aminobutyl)-24-benzyl-12,18-di((S)-sec-butyl)-33,36-bis(3-guanidinopropyl)-54-(hydroxymethyl)-1-imino-39-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-hexadecaoxo-2,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaazapentapentacontan-55-amido)-8-(carboxymethyl)-2-(hydroxymethyl)-5,11-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-14-(4-(phosphonooxy)benzyl)-3,6,9,12,15,18,21-heptaazapentacosanedioic acid
- Catalog No. :
- ACZCTE584
- CAS No. :
- 1236188-16-1
- Molecular Formula :
- C141H222N43O39PS3
- Molecular Weight :
- 3270.76
IUPAC Name:(2S,5S,8S,11S,14S,23S)-23-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S)-21,45-bis((1H-indol-3-yl)methyl)-1,6-diamino-30-(2-amino-2-oxoethyl)-9,27-bis(3-amino-3-oxopropyl)-15,42,48,51-tetrakis(4-aminobutyl)-24-benzyl-12,18-di((S)-sec-butyl)-33,36-bis(3-guanidinopropyl)-54-(hydroxymethyl)-1-imino-39-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-hexadecaoxo-2,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaazapentapentacontan-55-amido)-8-(carboxymethyl)-2-(hydroxymethyl)-5,11-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-14-(4-(phosphonooxy)benzyl)-3,6,9,12,15,18,21-heptaazapentacosanedioic acid
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Product Information
| Product Name | (2S,5S,8S,11S,14S,23S)-23-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S)-21,45-bis((1H-indol-3-yl)methyl)-1,6-diamino-30-(2-amino-2-oxoethyl)-9,27-bis(3-amino-3-oxopropyl)-15,42,48,51-tetrakis(4-aminobutyl)-24-benzyl-12,18-di((S)-sec-butyl)-33,36-bis(3-guanidinopropyl)-54-(hydroxymethyl)-1-imino-39-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-hexadecaoxo-2,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaazapentapentacontan-55-amido)-8-(carboxymethyl)-2-(hydroxymethyl)-5,11-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-14-(4-(phosphonooxy)benzyl)-3,6,9,12,15,18,21-heptaazapentacosanedioic acid |
|---|---|
| IUPAC Name | (2S,5S,8S,11S,14S,23S)-23-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S)-21,45-bis((1H-indol-3-yl)methyl)-1,6-diamino-30-(2-amino-2-oxoethyl)-9,27-bis(3-amino-3-oxopropyl)-15,42,48,51-tetrakis(4-aminobutyl)-24-benzyl-12,18-di((S)-sec-butyl)-33,36-bis(3-guanidinopropyl)-54-(hydroxymethyl)-1-imino-39-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-hexadecaoxo-2,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaazapentapentacontan-55-amido)-8-(carboxymethyl)-2-(hydroxymethyl)-5,11-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-14-(4-(phosphonooxy)benzyl)-3,6,9,12,15,18,21-heptaazapentacosanedioic acid |
| Molecular Formula | C141H222N43O39PS3 |
| Molecular Weight | 3270.76 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)O |
| InChI Key | XCGMILZGRGEWHL-QYGSNONCSA-N |
| Synonym | 740 Y-P;RQIKIWFQNRRMKWKKSDGGYMDMS (Modifications: Tyr-21 = pTyr);PDGFR 740Y-P;740 Y-P, >96%;740 Y-P,740YPDGFR,PDGFR 740Y-P, >96%;740YPDGFR;L-Serine, L-arginyl-L-glutaminyl-L-isoleucyl-L-lysyl-L-isoleucyl-L-tryptophyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-arginyl-L-arginyl-L-methionyl-L-lysyl-L-tryptophyl-L-lysyl-L-lysyl-L-seryl-L-α-aspartylglycylglycyl-O-phosphono-L-tyrosyl-L-methionyl-L-α-aspartyl-L-methionyl-;740 Y-P (PDGFR 740Y-P) |
| CAS No. | 1236188-16-1 |
Synthetic Route by SureRoute
2. ACZCTE584 Molecular Building Block Synthetic Route
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(5S,8S,14S,17S,20S,26S,29S,32S,35S,41S,44S,50S,53S,56S)-41-((1H-indol-3-yl)methyl)-35-(2-amino-2-oxoethyl)-8,26-dibenzyl-17,29,53-tri((S)-sec-butyl)-32,44-bis(2-carboxyethyl)-56-((6S,9S,12S,15S,18S,21S,24S,27S,30S)-1,6-diamino-15-(3-amino-3-oxopropyl)-24,27-bis(4-aminobutyl)-9,12,18,21,30-pentakis(3-guanidinopropyl)-1-imino-7,10,13,16,19,22,25,28,31,34-decaoxo-2,8,11,14,17,20,23,26,29,32,35-undecaazaheptatriacontan-37-amido)-5-isobutyl-14,20-dimethyl-50-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55-octadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaazaoctapentacontanedioic acid
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