(2S,5S,8S,11S,17S,20S,23S)-11-((1H-indol-3-yl)methyl)-23-amino-2-benzyl-5-(carboxymethyl)-20-(4-hydroxybenzyl)-8,17-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazapentacosanedioic acid

Catalog No. :: ACHTTG092
CAS No. :: 103974-46-5
Molecular Formula :: C49H61N9O14S2
Molecular Weight :: 1064.21

IUPAC Name:(2S,5S,8S,11S,17S,20S,23S)-11-((1H-indol-3-yl)methyl)-23-amino-2-benzyl-5-(carboxymethyl)-20-(4-hydroxybenzyl)-8,17-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazapentacosanedioic acid

(2S,5S,8S,11S,17S,20S,23S)-11-((1H-indol-3-yl)methyl)-23-amino-2-benzyl-5-(carboxymethyl)-20-(4-hydroxybenzyl)-8,17-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazapentacosanedioic acid structure diagram

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Product Information

Product Name	(2S,5S,8S,11S,17S,20S,23S)-11-((1H-indol-3-yl)methyl)-23-amino-2-benzyl-5-(carboxymethyl)-20-(4-hydroxybenzyl)-8,17-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazapentacosanedioic acid
IUPAC Name	(2S,5S,8S,11S,17S,20S,23S)-11-((1H-indol-3-yl)methyl)-23-amino-2-benzyl-5-(carboxymethyl)-20-(4-hydroxybenzyl)-8,17-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazapentacosanedioic acid
MDL No.	MFCD00076489
Molecular Formula	C49H61N9O14S2
Molecular Weight	1064.21
SMILES	CSCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
InChI Key	PUZFEBZBSNCBNS-YRVFCXMDSA-N
Synonym	Cholecystokinin Octapeptide free acid (desulfated),Sincalide (free acid) (desulfated);Cholecystokinin Octapeptide free acid (desulfated) H-Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-OH;L-Phenylalanine, L-α-aspartyl-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-;cholecystokinin octapeptide(human);CCK (26-33) free acid
CAS No.	103974-46-5

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ACHTTG092103974-46-5

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ACHTTG092103974-46-5

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(2S,5S,8S,11S,17S,20S,23S)-11-((1H-indol-3-yl)methyl)-23-amino-2-benzyl-5-(carboxymethyl)-20-(4-hydroxybenzyl)-8,17-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazapentacosanedioic acid

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1. ACHTTG092 Molecular Building Block Synthetic Route

2. ACHTTG092 Molecular Building Block Synthetic Route

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(2S,5S,8S,11S,17S,20S,23S)-11-((1H-indol-3-yl)methyl)-23-amino-2-benzyl-5-(carboxymethyl)-20-(4-hydroxybenzyl)-8,17-bis(2-(methylthio)ethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazapentacosanedioic acid

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Synthetic Route by SureRoute

(5S,11S,14S,17S)-11-((1H-Indol-3-yl)methyl)-17-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-14-(2-(methylthio)ethyl)-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazanonadecan-19-oic acid

(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid

CCK (26-31) (non-sulfated)

(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid--2,2,2-trifluoroacetic acid (1/1)

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