L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-L-tryptophyl-N6-(((2-methylphenyl)amino)carbonyl)-L-lysyl-L-alpha-aspartyl-Nalpha-methyl- - 130408-77-4
L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-L-tryptophyl-N6-(((2-methylphenyl)amino)carbonyl)-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-
Catalog Number: BT-257859
CAS Number: 130408-77-4
Molecular Formula: C44H56N8O9
Molecular Weight: 841 g/mol
The product is for non-human research only. Not for therapeutic or veterinary use.
Product Introduction
Description
A 71623 is a selective (Cholecystokinin) CCK-A agonist that suppresses food intakes.
Properties
CAS Number
130408-77-4
Product Name
L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-L-tryptophyl-N6-(((2-methylphenyl)amino)carbonyl)-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-
IUPAC Name
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid
Molecular Formula
C44H56N8O9
Molecular Weight
841 g/mol
InChI
InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
InChI Key
KNHCBYMGWWTGSO-ZYADHFCISA-N
SMILES
CC1=CC=CC=C1NC(=O)NCCCCC(C(=O)NC(CC(=O)O)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C
Solubility
Soluble in DMSO
Synonyms
A 71623
A-71623
Boc-Trp-Lys(epsilon-N-2-methylphenylaminocarbonyl)-Asp-(N-methyl)-Phe-NH2
Canonical SMILES
CC1=CC=CC=C1NC(=O)NCCCCC(C(=O)NC(CC(=O)O)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C
Isomeric SMILES
CC1=CC=CC=C1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C
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