For research use only. Not for therapeutic Use.
Catalog Number | M019527 |
CAS Number | 118688-24-7 |
Synonyms | cholecystokinin (26-33), I-Tyr-Gly-Nle(28,31)- |
Molecular Formula | C62H77IN12O19S |
Purity | ≥95% |
Storage | Store at -20°C |
IUPAC Name | (3S)-3-[[2-[[(2R)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoyl]amino]acetyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid |
InChI | InChI=1S/C62H77IN12O19S/c1-3-5-15-43(71-59(87)46(27-35-18-21-38(22-19-35)94-95(91,92)93)74-61(89)48(29-53(79)80)70-51(77)32-67-56(84)41(64)25-36-20-23-50(76)40(63)24-36)57(85)68-33-52(78)69-47(28-37-31-66-42-17-11-10-14-39(37)42)60(88)72-44(16-6-4-2)58(86)75-49(30-54(81)82)62(90)73-45(55(65)83)26-34-12-8-7-9-13-34/h7-14,17-24,31,41,43-49,66,76H,3-6,15-16,25-30,32-33,64H2,1-2H3,(H2,65,83)(H,67,84)(H,68,85)(H,69,78)(H,70,77)(H,71,87)(H,72,88)(H,73,90)(H,74,89)(H,75,86)(H,79,80)(H,81,82)(H,91,92,93)/t41-,43+,44+,45+,46+,47+,48+,49+/m1/s1 |
InChIKey | ODPHDJYCCQFLCA-ZRJFNEKDSA-N |
SMILES | CCCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC5=CC(=C(C=C5)O)I)N |