Account (3R,6S,9S,16S,E)-9-(4-aminobutyl)-3-(4-benzoylbenzyl)-6-(cyclohexylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentaazacycloicos-12-ene-16-carboxamide
- Catalog No. :
- ACCIIF357
- CAS No. :
- 1417537-93-9
- Molecular Formula :
- C41H55N7O7
- Molecular Weight :
- 757.93
IUPAC Name:(3R,6S,9S,16S,E)-9-(4-aminobutyl)-3-(4-benzoylbenzyl)-6-(cyclohexylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentaazacycloicos-12-ene-16-carboxamide
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Product Information
| Product Name | (3R,6S,9S,16S,E)-9-(4-aminobutyl)-3-(4-benzoylbenzyl)-6-(cyclohexylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentaazacycloicos-12-ene-16-carboxamide |
|---|---|
| IUPAC Name | (3R,6S,9S,16S,E)-9-(4-aminobutyl)-3-(4-benzoylbenzyl)-6-(cyclohexylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentaazacycloicos-12-ene-16-carboxamide |
| Molecular Formula | C41H55N7O7 |
| Molecular Weight | 757.93 |
| SMILES | O=C(N)[C@H]1NC(/C=C/C(N[C@H](C(N[C@H](C(N[C@@H](C(NCCCC1)=O)CC2=CC=C(C=C2)C(C3=CC=CC=C3)=O)=O)CC4CCCCC4)=O)CCCCN)=O)=O |
| InChI Key | BHZABWWULWHRIY-JAXGQCOVSA-N |
| Synonym | (3R,6S,9S,12E,16S)-9-(4-aminobutyl)-3-[(4-benzoylphenyl)methyl]-6-(cyclohexylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicos-12-ene-16-carboxamide;6bK |
| CAS No. | 1417537-93-9 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACCIIF357 Molecular Building Block Synthetic Route
(3R,6S,9S,16S,E)-9-(4-Aminobutyl)-3-(4-benzoylbenzyl)-6-(cyclohexylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentaazacycloicos-12-ene-16-carboxamide 2,2,2-trifluoroacetate
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(S)-2-Acetamido-N1-((2S,5S,8S,11S,14S)-1,18-diamino-2,5-dibenzyl-11-isobutyl-8-isopropyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazaoctadecan-14-yl)pentanediamide