Account (3S,6S,9S,12S,15S,18S,24S)-3-amino-18-benzyl-24-carbamoyl-6-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-15-(hydroxymethyl)-9-isobutyl-26-methyl-4,7,10,13,16,19,22-heptaoxo-5,8,11,14,17,20,23-heptaazaheptacosanoic acid
- Catalog No. :
- ACBKON383
- CAS No. :
- 123374-35-6
- Molecular Formula :
- C45H68N12O12
- Molecular Weight :
- 969.11
IUPAC Name:(3S,6S,9S,12S,15S,18S,24S)-3-amino-18-benzyl-24-carbamoyl-6-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-15-(hydroxymethyl)-9-isobutyl-26-methyl-4,7,10,13,16,19,22-heptaoxo-5,8,11,14,17,20,23-heptaazaheptacosanoic acid
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Product Information
| Product Name | (3S,6S,9S,12S,15S,18S,24S)-3-amino-18-benzyl-24-carbamoyl-6-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-15-(hydroxymethyl)-9-isobutyl-26-methyl-4,7,10,13,16,19,22-heptaoxo-5,8,11,14,17,20,23-heptaazaheptacosanoic acid |
|---|---|
| IUPAC Name | (3S,6S,9S,12S,15S,18S,24S)-3-amino-18-benzyl-24-carbamoyl-6-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-15-(hydroxymethyl)-9-isobutyl-26-methyl-4,7,10,13,16,19,22-heptaoxo-5,8,11,14,17,20,23-heptaazaheptacosanoic acid |
| Molecular Formula | C45H68N12O12 |
| Molecular Weight | 969.11 |
| SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(N)=O |
| InChI Key | BYSKWCFHMJZUBY-POFDKVPJSA-N |
| Synonym | L-Leucinamide, L-α-aspartyl-L-arginyl-L-leucyl-L-tyrosyl-L-seryl-L-phenylalanylglycyl- |
| CAS No. | 123374-35-6 |
Synthetic Route by SureRoute
2. ACBKON383 Molecular Building Block Synthetic Route
((S)-2-(2-((S)-5-amino-2-((S)-2-((S)-6-amino-2-((S)-2-((S)-2-aminopropanamido)-4-methylpentanamido)hexanamido)-5-((diaminomethylene)amino)pentanamido)-5-oxopentanamido)acetamido)-5-((diaminomethylene)amino)pentanoyl)-L-threonyl-L-leucyl-L-tyrosylglycyl-L-phenylalanylglycylglycine
((S)-2-((S)-2-amino-3-carboxypropanamido)-5-((diaminomethylene)amino)pentanoyl)-L-valyl-L-tyrosyl-L-isoleucine
(2S,5S,8S,11S,14S,17S)-17-amino-2,11-bis(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecanoic acid