Account (S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-Imidazol-5-yl)methyl)-15-((S)-sec-butyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oyl)pyrrolidine-2-carboxamido)propanoic acid trifluoroacetate
- Catalog No. :
- ACDBSG539
- CAS No. :
- 2828433-26-5
- Molecular Formula :
- C45H68F3N13O12
- Molecular Weight :
- 1040.11
IUPAC Name:methylglycyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-alanine--2,2,2-trifluoroacetic acid (1/1)
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Product Information
| Product Name | (S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-Imidazol-5-yl)methyl)-15-((S)-sec-butyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oyl)pyrrolidine-2-carboxamido)propanoic acid trifluoroacetate |
|---|---|
| IUPAC Name | methylglycyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-alanine--2,2,2-trifluoroacetic acid (1/1) |
| Molecular Formula | C45H68F3N13O12 |
| Molecular Weight | 1040.11 |
| SMILES | C([C@H](CC1=CN=CN1)NC([C@@H](NC([C@H](CC2=CC=C(O)C=C2)NC([C@@H](NC([C@@H](NC(CNC)=O)CCCNC(=N)N)=O)[C@@H](C)C)=O)=O)[C@H](CC)C)=O)(=O)N3[C@H](C(N[C@H](C(O)=O)C)=O)CCC3.O=C(O)C(F)(F)F |
| InChI Key | TWQGSTLQYSYFSJ-FYQCYQQMSA-N |
| Synonym | (S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-Imidazol-5-yl)methyl)-15-((S)-sec-butyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oyl)pyrrolidine-2-carboxamido)propanoic acid trifluoroacetate |
| CAS No. | 2828433-26-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACDBSG539 Molecular Building Block Synthetic Route
(S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-Imidazol-5-yl)methyl)-15-((S)-sec-butyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oyl)pyrrolidine-2-carboxamido)propanoic acid
((S)-5-((diaminomethylene)amino)-2-(2-(methylamino)acetamido)pentanoyl)-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-D-alanine--acetic acid (1/1)
((S)-5-((diaminomethylene)amino)-2-(2-(methylamino)acetamido)pentanoyl)-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-D-alanine