Biotinyl-tryptophyl-leucyl-beta-alanine

3-[[2-[[3-(1H-indol-3-yl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid

Also Known As: Biotinyl-trp-leu-beta-ala|Biotinyl-tryptophyl-leucyl-beta-alanine|3-[[2-[[3-(1H-indol-3-yl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid|beta-Alanine, N-(N-(N-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-tryptophyl)-L-leucyl)-, (3aS-(3aalpha,4beta,6aalpha))-|beta-Alanine, N-[N-[N-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-L-tryptophyl]-L-leucyl]-, [3aS-(3aalpha,4beta,6aalpha)]-|N-(1-Hydroxy-2-{[1-hydroxy-2-{[1-hydroxy-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentylidene]amino}-3-(1H-indol-3-yl)propylidene]amino}-4-methylpentylidene)-beta-alanine

Molecular Formula	C30H42N6O6S
Molecular Weight	614.28864 g/mol
LogP	2.04
Topological Polar Surface Area	181.52 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	6
Rotatable Bonds	16
Exact Mass	614.28864
Heavy Atoms	43
Complexity	1315.0

Chemical Identifiers

CAS Number	127745-41-9
SMILES	CC(C)CC(C(=O)NCCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCCC3C4C(CS3)NC(=O)N4