Account (S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
- Catalog No. :
- ACLVOG840
- CAS No. :
- 37025-55-1
- Molecular Formula :
- C45H69N11O12S
- Molecular Weight :
- 988.18
IUPAC Name:(S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
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Product Information
| Product Name | (S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide |
| Molecular Formula | C45H69N11O12S |
| Molecular Weight | 988.18 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O |
| InChI Key | NSTRIRCPWQHTIA-DTRKZRJBSA-N |
| Synonym | BUTYRYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-LEU-GLY-NH2, (SULFIDE BOND BETWEEN BUTYRYL-4-YL AND CYS);BUTYRYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-LEU-GLY-NH2 TRIFLUOROACETATE SALT;(BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCIN TRIFLUOROACETATE SALT;(BUTYRYL1,TYR(ME)2)-OXYTOCIN;(BUTYRYL1,TYR(ME)2)-OXYTOCIN TRIFLUOROACETATE SALT;CARBETOCIN;CARBETOCIN TRIFLUOROACETATE SALT;(2-O-METHYLTYROSINE)-DE-AMINO-1-CARBAOXYTOCIN |
| CAS No. | 37025-55-1 |
Synthetic Route by SureRoute
2. ACLVOG840 Molecular Building Block Synthetic Route
1-(6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-(sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide acetate
(S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide acetate
(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