Account (2S,5S,8S,11S,17S,20S)-2-((1H-imidazol-5-yl)methyl)-20-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-17-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazadocosan-22-oic acid
- Catalog No. :
- ACDTMA865
- CAS No. :
- 812644-79-4
- Molecular Formula :
- C52H74N14O13
- Molecular Weight :
- 1103.25
IUPAC Name:(2S,5S,8S,11S,17S,20S)-2-((1H-imidazol-5-yl)methyl)-20-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-17-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazadocosan-22-oic acid
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Product Information
| Product Name | (2S,5S,8S,11S,17S,20S)-2-((1H-imidazol-5-yl)methyl)-20-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-17-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazadocosan-22-oic acid |
|---|---|
| IUPAC Name | (2S,5S,8S,11S,17S,20S)-2-((1H-imidazol-5-yl)methyl)-20-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-17-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazadocosan-22-oic acid |
| Molecular Formula | C52H74N14O13 |
| Molecular Weight | 1103.25 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
| InChI Key | NOMIXRQBVMELPF-IWIOKYJLSA-N |
| Synonym | L-Phenylalanine, L-α-aspartyl-L-arginylglycyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-;TRV056 |
| CAS No. | 812644-79-4 |
Synthetic Route by SureRoute
2. ACDTMA865 Molecular Building Block Synthetic Route
(2S,5S,8S,11S,14S,17S)-2-((1H-Imidazol-5-yl)methyl)-17-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid xacetic acid
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-((R)-sec-butyl)-1-((R)-2-(((S)-1-(((S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-5,11-diisopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid--acetic acid (1/1)