Account (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
- Catalog No. :
- ACYWSO614
- CAS No. :
- 550-21-0
- Molecular Formula :
- C41H63N11O12S2
- Molecular Weight :
- 966.15
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C41H63N11O12S2 |
| Molecular Weight | 966.15 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O |
| InChI Key | XMINXPSYULINQV-XPLLYYSMSA-N |
| Synonym | CYS-TYR-ILE-SER-ASN-CYS-PRO-ILE-GLY-NH2;H-CYS-TYR-ILE-SER-ASN-CYS-PRO-ILE-GLY-NH2;ISOTOCIN;[4-Serine,8-Isoleucine]Oxytocin, [Ser4, Ile8]Oxytocin, Isotocin;(SER4,ILE8)-OXYTOCIN;4-L-serine-8-L-isoleucineoxytocin;Ichthyotocin;L-Cys(1)-L-Tyr-L-Ile-L-Ser-L-Asn-L-Cys(1)-L-Pro-L-Ile-Gly-NH2 |
| CAS No. | 550-21-0 |
Synthetic Route by SureRoute
2. ACYWSO614 Molecular Building Block Synthetic Route
((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)-L-prolyl-L-leucylglycine
(S)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-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 acetate
(2S,2'S)-1,1'-((4R,7S,10S,13S,16S,19R,24R,27S,30S,33S,36S,39R)-19,39-diamino-7,27-bis(2-amino-2-oxoethyl)-10,30-bis(3-amino-3-oxopropyl)-13,33-di((S)-sec-butyl)-16,36-bis(4-hydroxybenzyl)-6,9,12,15,18,26,29,32,35,38-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,25,28,31,34,37-decaazacyclotetracontane-4,24-dicarbonyl)bis(N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide)