Account ((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)-3-(1H-indol-3-yl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)-L-methionyl-L-glutamic acid
- Catalog No. :
- ACOFKP506
- CAS No. :
- 329696-49-3
- Molecular Formula :
- C63H97N17O14S
- Molecular Weight :
- 1348.64
IUPAC Name:((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)-3-(1H-indol-3-yl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)-L-methionyl-L-glutamic acid
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Product Information
| Product Name | ((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)-3-(1H-indol-3-yl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)-L-methionyl-L-glutamic acid |
|---|---|
| IUPAC Name | ((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)-3-(1H-indol-3-yl)propanamido)-3-methylbutanamido)-5-((diaminomethylene)amino)pentanoyl)-L-methionyl-L-glutamic acid |
| Molecular Formula | C63H97N17O14S |
| Molecular Weight | 1348.64 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChI Key | PSQOJBFNOHZXHH-RQXVNRIXSA-N |
| Synonym | BDC2.5 mimotope 1040-31;L-Glutamic acid, L-tyrosyl-L-valyl-L-arginyl-L-prolyl-L-leucyl-L-tryptophyl-L-valyl-L-arginyl-L-methionyl- |
| CAS No. | 329696-49-3 |
Synthetic Route by SureRoute
2. ACOFKP506 Molecular Building Block Synthetic Route
((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-phenylalanyl-L-tyrosyl-L-valyl-L-valyl-L-methionyl-L-tryptophyl-L-lysine
(S)-4-((S)-1-(L-aspartyl-L-methionyl-L-arginyl)pyrrolidine-2-carboxamido)-5-(((2S,3S)-1-(((S)-1-(((2S,3S)-1-(((S)-1-(((S)-5-amino-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((4S,7S,10S,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-10-benzyl-22-(((S)-1-(((S)-1-(((S)-1-carboxy-4-guanidinobutyl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)carbamoyl)-7-(2-carboxyethyl)-4-(carboxymethyl)-19-(4-hydroxybenzyl)-23-(4-hydroxyphenyl)-16-methyl-2,5,8,11,14,17,20-heptaoxo-3,6,9,12,15,18,21-heptaazatricosyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid
Leu-valorphin-arg