(3S)-3-amino-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfooxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-[(2S)-2-[[6-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-oxohexyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Base Information

Chemical Name:(3S)-3-amino-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfooxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-[(2S)-2-[[6-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-oxohexyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
CAS No.:124869-86-9
Molecular Formula:C53H72N10O15S3
Molecular Weight:1185.3918
Hs Code.:
Mol file:124869-86-9.mol

(3S)-3-amino-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfooxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-[(2S)-2-[[6-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-oxohexyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Synonyms:CCK (31-39)-TA;cholecystokinin (31-39), Thr(34)-Ahx(37)-;cholecystokinin (31-39), threonyl(34)-aminohexanoic acid(37)-;Thr(24)-Ahx(37)-cholecystokinin (31-39)

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (3S)-3-amino-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfooxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-[(2S)-2-[[6-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-oxohexyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.384g/cm³
XLogP3:-3.4
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:35
Exact Mass:1184.43407515
Heavy Atom Count:81
Complexity:2200

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Canonical SMILES:CC(C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)C(CCSC)NCCCCCC(=O)NC(CC3=CC=CC=C3)C(=O)N)C(=O)C(CC(=O)O)N)NC(=O)C(CCSC)NC(=O)C(CC4=CC=C(C=C4)O)N)OS(=O)(=O)O
Isomeric SMILES:C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CCSC)NCCCCCC(=O)NC(CC3=CC=CC=C3)C(=O)N)C(=O)[C@H](CC(=O)O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)OS(=O)(=O)O

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