Account (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
- Catalog No. :
- ACRLWG355
- CAS No. :
- 721885-31-0
- Molecular Formula :
- C145H222N44O41S
- Molecular Weight :
- 3269.71
IUPAC Name:(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
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| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C145H222N44O41S |
| Molecular Weight | 3269.71 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| InChI Key | FZPOJISTJNAPMH-FDYZCLOZSA-N |
| Synonym | Bim BH3, Peptide IV;Bim BH3;L-Arginine, L-α-aspartyl-L-methionyl-L-arginyl-L-prolyl-L-α-glutamyl-L-isoleucyl-L-tryptophyl-L-isoleucyl-L-alanyl-L-glutaminyl-L-α-glutamyl-L-leucyl-L-arginyl-L-arginyl-L-isoleucylglycyl-L-α-aspartyl-L-α-glutamyl-L-phenylalanyl-L-asparaginyl-L-alanyl-L-tyrosyl-L-tyrosyl-L-alanyl-L-arginyl- |
| CAS No. | 721885-31-0 |
Synthetic Route by SureRoute
2. ACRLWG355 Molecular Building Block Synthetic Route
L-tyrosylglycylglycyl-L-phenylalanyl-L-leucyl-L-arginyl-L-arginyl-L-isoleucyl-L-arginyl-L-prolyl-L-lysyl-L-leucyl-L-lysyl-L-tryptophyl-L-aspartyl-L-asparaginyl-L-glutamine
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(S)-5-(((S)-4-amino-1-(((S)-6-amino-1-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-4-((S)-3-(4-hydroxyphenyl)-2-((S)-4-methyl-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanamido)propanamido)-5-oxopentanoic acid