Account (2S)-1-((10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-(4-ethoxybenzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
- Catalog No. :
- ACARAN881
- CAS No. :
- 77453-01-1
- Molecular Formula :
- C53H77N13O11S2
- Molecular Weight :
- 1136.41
IUPAC Name:(2S)-1-((10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-(4-ethoxybenzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
![(2S)-1-((10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-(4-ethoxybenzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S)-1-((10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-(4-ethoxybenzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (2S)-1-((10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-(4-ethoxybenzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide |
| Molecular Formula | C53H77N13O11S2 |
| Molecular Weight | 1136.41 |
| SMILES | CCOC1=CC=C(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC2=O)C=C1 |
| InChI Key | SDFJYGJKEXYVCG-HQAJSCLBSA-N |
| Synonym | Skf 101498 | d(CH2)5Tyr(Et)Vavp | d(CH2)5Tyr(Et)Vdavp | SK&F 100398 | d(CH2)5(Tyr(Et)2)vavp | SK&F-100398 | Argipressin, beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-O-ethyltyrosyl(2)-valine(4)- | (2S)-N-[1-[(2-Amino-2-oxoethyl)amino]-5-(d |
| CAS No. | 77453-01-1 |
| PubChem CID | 123741 |
Synthetic Route by SureRoute
2. ACARAN881 Molecular Building Block Synthetic Route
N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)-1-(19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-(sec-butyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide
(S)-N-((S)-1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-((S)-sec-butyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide
(S)-N-((S)-1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-((R)-sec-butyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide