AC1LA7JR

1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-oxazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Also Known As: 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-ethyl-4-oxazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-|n2-{[(2-ethyl-1,3-oxazol-4-yl)methyl](methyl)carbamoyl}-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide|1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-oxazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate|2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-ethyl-4-oxazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-|N~2~-{[(2-Ethyl-1,3-oxazol-4-yl)methyl](methyl)carbamoyl}-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-L-valinamide|thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-4-[[(2S)-2-[[(2-ethyloxazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-2-hydroxy-5-phenyl-pentyl]carbamate

Molecular Formula	C36H46N6O6S
Molecular Weight	690.31995 g/mol
LogP	5.1
Topological Polar Surface Area	187.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	18
Exact Mass	690.31995
Monoisotopic Mass	690.31995
Heavy Atoms	49
Complexity	1010.0

Chemical Identifiers

CAS Number	30768-45-7
SMILES	CCC1=NC(=CO1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
InChIKey	MWULJCADXCDICM-UDRKEFQJSA-N