Account ((4R,7S,10S,13S,16S,19R)-19-((S)-4-amino-2-((S)-2-((S)-6-amino-2-((S)-2-((S)-2-amino-4-methylpentanamido)-5-guanidinopentanamido)hexanamido)-3-(1H-imidazol-4-yl)propanamido)-4-oxobutanamido)-13-(3-amino-3-oxopropyl)-7,10-bis(3-guanidinopropyl)-16-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-methionyl-L-prolyl-L-leucyl-L-histidyl-L-seryl-L-arginyl-L-valyl-L-prolyl-L-phenylalanyl-L-proline
- Catalog No. :
- ACISMS206
- CAS No. :
- 2245073-05-4
- Molecular Formula :
- C112H184N40O25S3
- Molecular Weight :
- 2587.16
IUPAC Name:((4R,7S,10S,13S,16S,19R)-19-((S)-4-amino-2-((S)-2-((S)-6-amino-2-((S)-2-((S)-2-amino-4-methylpentanamido)-5-guanidinopentanamido)hexanamido)-3-(1H-imidazol-4-yl)propanamido)-4-oxobutanamido)-13-(3-amino-3-oxopropyl)-7,10-bis(3-guanidinopropyl)-16-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-methionyl-L-prolyl-L-leucyl-L-histidyl-L-seryl-L-arginyl-L-valyl-L-prolyl-L-phenylalanyl-L-proline
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Product Information
| Product Name | ((4R,7S,10S,13S,16S,19R)-19-((S)-4-amino-2-((S)-2-((S)-6-amino-2-((S)-2-((S)-2-amino-4-methylpentanamido)-5-guanidinopentanamido)hexanamido)-3-(1H-imidazol-4-yl)propanamido)-4-oxobutanamido)-13-(3-amino-3-oxopropyl)-7,10-bis(3-guanidinopropyl)-16-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-methionyl-L-prolyl-L-leucyl-L-histidyl-L-seryl-L-arginyl-L-valyl-L-prolyl-L-phenylalanyl-L-proline |
|---|---|
| IUPAC Name | ((4R,7S,10S,13S,16S,19R)-19-((S)-4-amino-2-((S)-2-((S)-6-amino-2-((S)-2-((S)-2-amino-4-methylpentanamido)-5-guanidinopentanamido)hexanamido)-3-(1H-imidazol-4-yl)propanamido)-4-oxobutanamido)-13-(3-amino-3-oxopropyl)-7,10-bis(3-guanidinopropyl)-16-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-L-methionyl-L-prolyl-L-leucyl-L-histidyl-L-seryl-L-arginyl-L-valyl-L-prolyl-L-phenylalanyl-L-proline |
| Molecular Formula | C112H184N40O25S3 |
| Molecular Weight | 2587.16 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C |
| InChI Key | DITOSSSIQUUZEP-FMGZCOAKSA-N |
| Synonym | (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-13-(3-amino-3-oxopropyl)-7,10-bis(3-carbamimidamidopropyl)-16-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid |
| CAS No. | 2245073-05-4 |
Synthetic Route by SureRoute
2. ACISMS206 Molecular Building Block Synthetic Route
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(52-(2-(2-(2-(5-amino-2-(2-(2-(6-amino-2-(1-serylpyrrolidine-2-carboxamido)hexanamido)-4-(methylthio)butanamido)-3-methylbutanamido)-5-oxopentanamido)acetamido)-3-hydroxypropanamido)acetamido)-40-(4-aminobutyl)-49-benzyl-28-(sec-butyl)-34-(carboxymethyl)-31,43-bis(3-guanidinopropyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)lysylvalylleucylarginylarginylhistidine