cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-

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

Also Known As: BDNL|Boc-28,31-nle-cck-7|Jmv-236|Boc-tyr(SO3H)nle-gly-trp-nle-asp-phenh2|t-Boc(nle(28,31))-cck (27-33)|Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-Phe-NH2|Cholecystokinin (27-33), tert-butyloxycarbonyl-nle(28,31)-|tert-Butyloxycarbonyl-28,31-nle-cholecystokinin (27-33)|Cholecystokinin (27-33), tert-butyloxycarbonylnorleucyl(28,31)-|tert-Butoxycarbonyltyrosyl(sulfo)-norleucyl-glycyl-tryptophyl-norleucyl-aspartyl-phenylalaninamide|Boc-O-Sulfo-L-Tyr-L-Nle-Gly-L-Trp-L-Nle-L-Asp-L-Phe-NH2|JMV 236 (BOC-(NLE28,31)CCK-7 SYNTHETIC > 97%|(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(sulfooxy)phenyl]propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid|(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid|(S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(4-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid|3-{2-[2-(2-{2-[2-(tert-Butoxycarbonyl-methyl-amino)-3-(4-sulfonyl-oxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid|3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid|L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl-L-norleucylglycyl-L-tryptophyl-L-norleucyl-L-alpha-aspartyl-|N-(tert-Butoxycarbonyl)-O-sulfo-L-tyrosyl-L-norleucylglycyl-L-tryptophyl-L-norleucyl-L-alpha-aspartyl-L-phenylalaninamide

Molecular Formula	C52H69N9O15S
Molecular Weight	1091.4634 g/mol
LogP	2.1513
Topological Polar Surface Area	372.71 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	13
Rotatable Bonds	30
Exact Mass	1091.4634
Monoisotopic Mass	1091.4634
Heavy Atoms	77
Complexity	2802.358

Chemical Identifiers

CAS Number	98640-66-5
SMILES	CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)OC(C)(C)C