Account N1-(5-amino-1-((1-((1-((2-((1-((1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)(methyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)-2-(1-((2-amino-5-((diaminomethylene)amino)pentanoyl)prolyllysyl)pyrrolidine-2-carboxamido)pentanediamide
- Catalog No. :
- ACDKMW409
- CAS No. :
- 77128-75-7
- Molecular Formula :
- C64H100N18O13S
- Molecular Weight :
- 1361.68
IUPAC Name:N1-(5-amino-1-((1-((1-((2-((1-((1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)(methyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)-2-(1-((2-amino-5-((diaminomethylene)amino)pentanoyl)prolyllysyl)pyrrolidine-2-carboxamido)pentanediamide
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Product Information
| Product Name | N1-(5-amino-1-((1-((1-((2-((1-((1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)(methyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)-2-(1-((2-amino-5-((diaminomethylene)amino)pentanoyl)prolyllysyl)pyrrolidine-2-carboxamido)pentanediamide |
|---|---|
| IUPAC Name | N1-(5-amino-1-((1-((1-((2-((1-((1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)(methyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)-2-(1-((2-amino-5-((diaminomethylene)amino)pentanoyl)prolyllysyl)pyrrolidine-2-carboxamido)pentanediamide |
| MDL No. | MFCD00080118 |
| Molecular Formula | C64H100N18O13S |
| Molecular Weight | 1361.68 |
| SMILES | CSCCC(NC(=O)C(CC(C)C)NC(=O)CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(N)CCCN=C(N)N)C(N)=O |
| InChI Key | CMARLNZAQITWSL-UHFFFAOYSA-N |
| Synonym | [Sar9] Substance P | AS-67333 | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Sar-Leu-Met-NH2 | DTXSID30407801 | AKOS037646215 |
| CAS No. | 77128-75-7 |
| PubChem CID | 5049868 |
Synthetic Route by SureRoute
2. ACDKMW409 Molecular Building Block Synthetic Route
Substance P xTFA
(S)-2-((S)-1-(L-arginyl-L-prolyl-L-lysyl)pyrrolidine-2-carboxamido)-N1-((S)-5-amino-1-(((S)-1-(((S)-1-((2-(((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)pentanediamide
(2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide