Tbnatmap

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

Also Known As: Tbnatmap|Boc-nhoac-trp-met-asp-phe-NH2|N-t-Boc-Trp-Met-Asp-Phe-NH2|tert-Butyloxycarbonyl-aminooxyacetyl-tryptophyl-methionyl-aspartyl-phenylalaninamide|(3S)-3-[[(1S)-1-CARBAMOYL-2-PHENYL-ETHYL]CARBAMOYL]-3-[[(2S)-2-[[(2S)- 3-(1H-INDOL-3-YL)-2-[[2-(BOC-AMINO)OXYACETYL]AMINO]PROP ANOYL]AMINO]-4-METHYLSULFANYL-BUTANOYL]AMINO]PROPANOIC ACID|n-({[(tert-butoxycarbonyl)amino]oxy}acetyl)-l-tryptophyl-l-methionyl-l-|A-aspartyl-l-phenylalaninamide|(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid|-3-[[ -1-carbamoyl-2-phenyl-ethyl]carbamoyl]-3-[[ -2-[[ -3- -2-[[2- oxyacetyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoicacid|L-Phenylalaninamide, N-(((((1,1-dimethylethoxy)carbonyl)amino)oxy)acetyl)-L-tryptophyl-L-methionyl-L-alpha-aspartyl-|N-({[(tert-butoxycarbonyl)amino]oxy}acetyl)-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide

Molecular Formula	C36H47N7O10S
Molecular Weight	769.3105 g/mol
LogP	2.0
Topological Polar Surface Area	285.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	11
Rotatable Bonds	22
Exact Mass	769.3105
Monoisotopic Mass	769.3105
Heavy Atoms	54
Complexity	1310.0

Chemical Identifiers

CAS Number	69002-74-0
SMILES	CC(C)(C)OC(=O)NOCC(=O)N[C@@H](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
InChIKey	GZDRRVJMVOOATR-LJWNLINESA-N