AC1LA7IL

1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-5-[[(2S)-2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methoxycarbonylamino]-3-methylbutanoyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Also Known As: 2-Oxa-4,7,12-triazatridecan-13-oic acid, 1-(2-(dimethylamino)-4-thiazolyl)-9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,6R*,7R*,9R*))-|n2-({[2-(dimethylamino)-1,3-thiazol-4-yl]methoxy}carbonyl)-n-[(2s,3s,5s)-3-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide|thiazol-5-ylmethyl N-[(1S,3S,4S)-1-benzyl-4-[[(2S)-2-[[2-(dimethylamino)thiazol-4-yl]methoxycarbonylamino]-3-methyl-butanoyl]amino]-3-hydroxy-5-phenyl-pentyl]carbamate|(2S)-2-{[{[2-(Dimethylamino)-1,3-thiazol-4-yl]methoxy}(hydroxy)methylidene]amino}-N-[(2S,3S,5S)-3-hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]-3-methylbutanimidic acid|1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-5-[[(2S)-2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methoxycarbonylamino]-3-methylbutanoyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate|2-{[{[2-(Dimethylamino)-1,3-thiazol-4-yl]methoxy}(hydroxy)methylidene]amino}-N-[3-hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]-3-methylbutanimidic acid|2-Oxa-4,7,12-triazatridecan-13-oic acid, 1-[2-(dimethylamino)-4-thiazolyl]-9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,6R*,7R*,9R*)]-

Molecular Formula	C35H44N6O6S2
Molecular Weight	708.27637 g/mol
LogP	5.7
Topological Polar Surface Area	211.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	19
Exact Mass	708.27637
Monoisotopic Mass	708.27637
Heavy Atoms	49
Complexity	1020.0

Chemical Identifiers

CAS Number	29324-80-9
SMILES	CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)OCC4=CSC(=N4)N(C)C
InChIKey	KEFSTLFADWTTTE-LKZKAFSPSA-N