SC 50083

tert-butyl N-[(2S)-1-[[(2S)-2-[[(2S,3S,5R)-1-cyclohexyl-3,6-dihydroxy-5-methyldecan-2-yl]amino]-4-methylpentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Also Known As: 4-amino-furazan-3-carbonitrile|SC 50083|tert-butyl N-[(2S)-1-[[(2S)-2-[[(2S,3S,5R)-1-cyclohexyl-3,6-dihydroxy-5-methyldecan-2-yl]amino]-4-methylpentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate|n|A-(tert-butoxycarbonyl)-n-[(2s)-2-{[(2s,3s,5r)-1-cyclohexyl-3,6-dihydroxy-5-methyldecan-2-yl]amino}-4-methylpentanoyl]-l-phenylalaninamide|(2S)-N-{N-[tert-Butoxy(hydroxy)methylidene]-L-phenylalanyl}-2-{[(2S,3S,5R)-1-cyclohexyl-3,6-dihydroxy-5-methyldecan-2-yl]amino}-4-methylpentanimidic acid|L-Leucinamide,N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2,5-dihydroxy-4-methylnonyl]-(9CI)|N-[(2S)-2-{[(2S,3S,5R)-1-Cyclohexyl-3,6-dihydroxy-5-methyl-2-deca nyl]amino}-4-methylpentanoyl]-N|A-{[(2-methyl-2-propanyl)oxy]carbo nyl}-L-phenylalaninamide|N-{N-[tert-Butoxy(hydroxy)methylidene]phenylalanyl}-2-[(1-cyclohexyl-3,6-dihydroxy-5-methyldecan-2-yl)amino]-4-methylpentanimidic acid

Molecular Formula	C37H63N3O6
Molecular Weight	645.4717 g/mol
LogP	8.2
Topological Polar Surface Area	137.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	20
Exact Mass	645.4717
Monoisotopic Mass	645.4717
Heavy Atoms	46
Complexity	894.0

Chemical Identifiers

CAS Number	6283-72-3
SMILES	CCCCC([C@H](C)C[C@@H]([C@H](CC1CCCCC1)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O
InChIKey	PRMNXBQTGXAPIR-YFUMYMLSSA-N