Account (S)-5-(((S)-4-amino-1-(((S)-6-amino-1-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-4-((S)-3-(4-hydroxyphenyl)-2-((S)-4-methyl-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanamido)propanamido)-5-oxopentanoic acid
- Catalog No. :
- ACOENV394
- CAS No. :
- 75644-95-0
- Molecular Formula :
- C80H122N22O19
- Molecular Weight :
- 1695.99
IUPAC Name:(S)-5-(((S)-4-amino-1-(((S)-6-amino-1-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-4-((S)-3-(4-hydroxyphenyl)-2-((S)-4-methyl-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanamido)propanamido)-5-oxopentanoic acid
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Product Information
| Product Name | (S)-5-(((S)-4-amino-1-(((S)-6-amino-1-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-4-((S)-3-(4-hydroxyphenyl)-2-((S)-4-methyl-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanamido)propanamido)-5-oxopentanoic acid |
|---|---|
| IUPAC Name | (S)-5-(((S)-4-amino-1-(((S)-6-amino-1-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-4-((S)-3-(4-hydroxyphenyl)-2-((S)-4-methyl-2-((S)-5-oxopyrrolidine-2-carboxamido)pentanamido)propanamido)-5-oxopentanoic acid |
| Molecular Formula | C80H122N22O19 |
| Molecular Weight | 1695.99 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChI Key | XHUBQRRWQWIRQR-HDZFXEKZSA-N |
| Synonym | neurotensin, Trp(11)-;Neurotensin (cattle), 11-L-tryptophan-;(Trp??)-Neurotensin;(Trp11)-Neurotensin Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Trp-Ile-Leu-OH |
| CAS No. | 75644-95-0 |
Synthetic Route by SureRoute
2. ACOENV394 Molecular Building Block Synthetic Route
L-tyrosylglycylglycyl-L-phenylalanyl-L-leucyl-L-arginyl-L-arginyl-L-isoleucyl-L-arginyl-L-prolyl-L-lysyl-L-leucyl-L-lysyl-L-tryptophyl-L-aspartyl-L-asparaginyl-L-glutamine
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(S)-4-(2-((S)-6-amino-2-(2-((S)-1-(glycyl-L-tyrosyl-L-tyrosyl-L-tryptophyl-L-seryl-L-tryptophyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-prolyl)pyrrolidine-2-carboxamido)acetamido)hexanamido)acetamido)-5-(((S)-4-carboxy-1-(((S)-1-(((2S,3S)-1-((carboxymethyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid