Account (S)-N1-((4S,7S,10R,13S,16R)-10-((1H-indol-3-yl)methyl)-2-(((S)-2-amino-3-(pyridin-3-yl)propanoyl)-L-prolyl)-13-benzyl-4-butyl-17-(1H-indol-3-yl)-7-isobutyl-1-((S)-1-(N6-nicotinoyl-D-lysyl)pyrrolidin-2-yl)-1,3,6,9,12,15-hexaoxo-2,5,8,11,14-pentaazaheptadecan-16-yl)-2-((R)-2-amino-3-(3,4-dichlorophenyl)propanamido)succinamide
- Catalog No. :
- ACWCRC916
- CAS No. :
- 129176-97-2
- Molecular Formula :
- C86H104Cl2N18O13
- Molecular Weight :
- 1668.80
IUPAC Name:(S)-N1-((4S,7S,10R,13S,16R)-10-((1H-indol-3-yl)methyl)-2-(((S)-2-amino-3-(pyridin-3-yl)propanoyl)-L-prolyl)-13-benzyl-4-butyl-17-(1H-indol-3-yl)-7-isobutyl-1-((S)-1-(N6-nicotinoyl-D-lysyl)pyrrolidin-2-yl)-1,3,6,9,12,15-hexaoxo-2,5,8,11,14-pentaazaheptadecan-16-yl)-2-((R)-2-amino-3-(3,4-dichlorophenyl)propanamido)succinamide
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Product Information
| Product Name | (S)-N1-((4S,7S,10R,13S,16R)-10-((1H-indol-3-yl)methyl)-2-(((S)-2-amino-3-(pyridin-3-yl)propanoyl)-L-prolyl)-13-benzyl-4-butyl-17-(1H-indol-3-yl)-7-isobutyl-1-((S)-1-(N6-nicotinoyl-D-lysyl)pyrrolidin-2-yl)-1,3,6,9,12,15-hexaoxo-2,5,8,11,14-pentaazaheptadecan-16-yl)-2-((R)-2-amino-3-(3,4-dichlorophenyl)propanamido)succinamide |
|---|---|
| IUPAC Name | (S)-N1-((4S,7S,10R,13S,16R)-10-((1H-indol-3-yl)methyl)-2-(((S)-2-amino-3-(pyridin-3-yl)propanoyl)-L-prolyl)-13-benzyl-4-butyl-17-(1H-indol-3-yl)-7-isobutyl-1-((S)-1-(N6-nicotinoyl-D-lysyl)pyrrolidin-2-yl)-1,3,6,9,12,15-hexaoxo-2,5,8,11,14-pentaazaheptadecan-16-yl)-2-((R)-2-amino-3-(3,4-dichlorophenyl)propanamido)succinamide |
| Molecular Formula | C86H104Cl2N18O13 |
| Molecular Weight | 1668.80 |
| SMILES | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CC1=CC(Cl)=C(Cl)C=C1)C(=O)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCCNC(=O)C1=CN=CC=C1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CN=CC=C1 |
| InChI Key | AZZJAARMZMEIHY-BBKUSFMUSA-N |
| Synonym | (D-Lys(nicotinoyl)1,b-(3-pyridyl)-Ala3,3,4-dichloro-D-Phe5,Asn6,D-Trp7·9,Nle11)-Substance P;H-D-Lys(nicotinoyl)-Pro-b-(3-pyridyl)-Ala-Pro-3,4-dichloro-D-Phe-Asn-D-Trp-Phe-D-Trp-Leu-Nle-NH2;L-Norleucinamide, N6-(3-pyridinylcarbonyl)-D-lysyl-L-prolyl-3-(3-pyridinyl)-L-alanyl-L-prolyl-3,4-dichloro-D-phenylalanyl-L-asparaginyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-;(D-Lys(nicotinoyl)1,β-(3-pyridyl)-Ala3,3,4-dichloro-D-Phe5,Asn6,D-Trp7·9,Nle11)-Substance P;(D-Lys(nicotinoyl)1,β-(3-pyridyl)-Ala3,3,4-dichloro-D-Phe?,Asn?,D-Trp?·?,Nle11)-Substance P trifluoroacetate salt;(D-Lys(nicotinoyl)?,β-(3-pyridyl)-Ala?,3,4-dichloro-D-Phe?,Asn?,D-Trp?·?,Nle??)-Substance P trifluoroacetate salt;(D-Lys(nicotinoyl)1,b-(3-pyridyl)-Ala3,3,4-dichloro-D-Phe5,Asn6,D-Trp7·9, Nle 11)-Substance P trifluoroacetate salt;(D-Lys(nicotinoyl)1,β-(3-pyridyl)-Ala3 |
| CAS No. | 129176-97-2 |
Synthetic Route by SureRoute
2. ACWCRC916 Molecular Building Block Synthetic Route
TCMCB07
N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide
N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-Amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate