Account 19-amino-7-(2-amino-2-oxoethyl)-N-(2-((1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-13-(sec-butyl)-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
- Catalog No. :
- ACGNOV387
- CAS No. :
- 60786-59-6
- Molecular Formula :
- C39H61N11O12S2
- Molecular Weight :
- 940.12
IUPAC Name:19-amino-7-(2-amino-2-oxoethyl)-N-(2-((1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-13-(sec-butyl)-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
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Product Information
| Product Name | 19-amino-7-(2-amino-2-oxoethyl)-N-(2-((1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-13-(sec-butyl)-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide |
|---|---|
| IUPAC Name | 19-amino-7-(2-amino-2-oxoethyl)-N-(2-((1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-13-(sec-butyl)-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide |
| Molecular Formula | C39H61N11O12S2 |
| Molecular Weight | 940.12 |
| SMILES | CCC(C)C1NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(N)CSSCC(C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(C)O)NC1=O |
| InChI Key | XQAKKLKDUOWUIU-UHFFFAOYSA-N |
| Synonym | thr(4)-gly(7)-oxytoci;[THR4, GLY7] OT;[THR4, GLY7]-OXYTOCIN;CYS-TYR-ILE-THR-ASN-CYS-GLY-LEU-GLY-NH2;H-CYS-TYR-ILE-THR-ASN-CYS-GLY-LEU-GLY-NH2;H-CYS-TYR-ILE-THR-ASN-CYS-GLY-LEU-GLY-NH2, (DISULFIDE BOND);3,3-DiallylthiacarbocyanineBromide;Cys-Tyr-Ile-Thr-Asn-Cys-Gly-Leu-Gly-NH2 (Disulfide bridge Cys1-Cys6) |
| CAS No. | 60786-59-6 |
Synthetic Route by SureRoute
2. ACGNOV387 Molecular Building Block Synthetic Route
Tocinoic acid
(S)-N-((S)-5-Amino-1-((2-amino-2-oxoethyl)amino)-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-((S)-sec-butyl)-16-(4-ethoxybenzyl)-10-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide
(S)-N-((2S,3S)-1-((2-amino-2-oxoethyl)amino)-3-methyl-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-((S)-sec-butyl)-16-(4-hydroxybenzyl)-10-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide