Account (3S,6S,9S,12S,15S)-15-((2S,5S,8S,11S,14S,17S)-2-((1H-Indol-3-yl)methyl)-11-benzyl-8,17-bis((R)-1-hydroxyethyl)-5-(hydroxymethyl)-14-isopropyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanamido)-3-(((S)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-12-(2-carboxyethyl)-9-(4-hydroxybenzyl)-6-isobutyl-5,8,11,14-tetraoxo-4,7,10,13-tetraazaoctadecane-1,18-dioic acid
- Catalog No. :
- ACWGKE286
- CAS No. :
- 1541011-97-5
- Molecular Formula :
- C83H110N16O24
- Molecular Weight :
- 1715.88
IUPAC Name:(3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)-15-(((1Z,2S,3Z,5S,6Z,8S,9Z,11S,12Z,14S,15Z,17S,18Z)-2-((1H-indol-3-yl)methyl)-11-benzyl-1,4,7,10,13,16,19-heptahydroxy-8,17-bis((R)-1-hydroxyethyl)-5-(hydroxymethyl)-14-isopropyl-3,6,9,12,15,18-hexaazaicosa-3,6,9,12,15,18-hexaen-1-ylidene)amino)-12-(2-carboxyethyl)-5,8,11,14-tetrahydroxy-3-((Z)-hydroxy(((S,Z)-1-hydroxy-1-(((S)-1-hydroxy-1-imino-3-methylbutan-2-yl)imino)-3-(1H-indol-3-yl)propan-2-yl)imino)methyl)-9-(4-hydroxybenzyl)-6-isobutyl-4,7,10,13-tetraazaoctadeca-4,7,10,13-tetraenedioic acid
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Product Information
| Product Name | (3S,6S,9S,12S,15S)-15-((2S,5S,8S,11S,14S,17S)-2-((1H-Indol-3-yl)methyl)-11-benzyl-8,17-bis((R)-1-hydroxyethyl)-5-(hydroxymethyl)-14-isopropyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanamido)-3-(((S)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-12-(2-carboxyethyl)-9-(4-hydroxybenzyl)-6-isobutyl-5,8,11,14-tetraoxo-4,7,10,13-tetraazaoctadecane-1,18-dioic acid |
|---|---|
| IUPAC Name | (3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)-15-(((1Z,2S,3Z,5S,6Z,8S,9Z,11S,12Z,14S,15Z,17S,18Z)-2-((1H-indol-3-yl)methyl)-11-benzyl-1,4,7,10,13,16,19-heptahydroxy-8,17-bis((R)-1-hydroxyethyl)-5-(hydroxymethyl)-14-isopropyl-3,6,9,12,15,18-hexaazaicosa-3,6,9,12,15,18-hexaen-1-ylidene)amino)-12-(2-carboxyethyl)-5,8,11,14-tetrahydroxy-3-((Z)-hydroxy(((S,Z)-1-hydroxy-1-(((S)-1-hydroxy-1-imino-3-methylbutan-2-yl)imino)-3-(1H-indol-3-yl)propan-2-yl)imino)methyl)-9-(4-hydroxybenzyl)-6-isobutyl-4,7,10,13-tetraazaoctadeca-4,7,10,13-tetraenedioic acid |
| Molecular Formula | C83H110N16O24 |
| Molecular Weight | 1715.88 |
| SMILES | CC(C[C@@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/[C@](/N=C(O)/C)([H])[C@@](O)([H])C)([H])C(C)C)([H])CC1=CC=CC=C1)([H])[C@@](O)([H])C)([H])CO)([H])CC2=CNC3=CC=CC=C23)([H])CCC(O)=O)([H])CCC(O)=O)([H])CC4=CC=C(O)C=C4)([H])/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](C(O)=N)([H])C(C)C)([H])CC5=CNC6=CC=CC=C56)([H])CC(O)=O)C |
| InChI Key | ORPZALWAWWEEDP-NXXUBLNKSA-N |
| Synonym | Pep2-8;(3S,6S,9S,12S,15S)-15-((2S,5S,8S,11S,14S,17S)-2-((1H-Indol-3-yl)methyl)-11-benzyl-8,17-bis((R)-1-hydroxyethyl)-5-(hydroxymethyl)-14-isopropyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanamido)-3-(((S)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-12-(2-carboxyethyl)-9-(4-hydroxybenzyl)-6-isobutyl-5,8,11,14-tetraoxo-4,7,10,13-tetraazaoctadecane-1,18-dioic acid;(3S,6S,9S,12S,15S)-15-((2S,5S,8S,11S,14S,17S)-2-((1H-Indol-3-yl)methyl)-11-benzyl-8,17-bis((R)-1-hydroxyethyl)-5-(hydroxymethyl)-14-isopropyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanamido)-3-(((S)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)amino |
| CAS No. | 1541011-97-5 |
| PubChem CID | 124221781 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
