Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide

(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Also Known As: BOC-Tetragastrin|Boc-CCK-4|Boc-CCK4|BOC-TRP-MET-ASP-PHE-NH2|EINECS 226-032-7|Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide|tert-Butyl L-tryptophyl-L-methionyl-L-alpha-aspartyl-3-phenyl-L-alaninamidoformate|n-(tert-butoxycarbonyl)tryptophyl-l-methionyl-l-|A-aspartyl-l-phenylalaninamide|(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid|(9S,12S)-4,7,10-Trihydroxy-12-(hydroxy{[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino}methyl)-6-[(1H-indol-3-yl)methyl]-2,2-dimethyl-9-[2-(methylsulfanyl)ethyl]-3-oxa-5,8,11-triazatetradeca-4,7,10-trien-14-oic acid|226-032-7|4,7,10-Trihydroxy-12-{hydroxy[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]methyl}-6-[(1H-indol-3-yl)methyl]-2,2-dimethyl-9-[2-(methylsulfanyl)ethyl]-3-oxa-5,8,11-triazatetradeca-4,7,10-trien-14-oic acid

Molecular Formula	C34H44N6O8S
Molecular Weight	696.2941 g/mol
LogP	2.01
Topological Polar Surface Area	221.81 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	8
Rotatable Bonds	17
Exact Mass	696.2941
Heavy Atoms	49
Complexity	1623.3

Chemical Identifiers

CAS Number	5235-21-2
SMILES	CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N