AC1L4E4E

(2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoyl]amino]pentanoic acid

Also Known As: n-({[(3s)-3,4,4-trimethyl-1,2-dioxetan-3-yl]methoxy}carbonyl)-l-phenylalanyl-l-leucine|N-[1-Hydroxy-2-({hydroxy[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methoxy]methylidene}amino)-3-phenylpropylidene]leucine|(2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoyl]amino]pentanoic acid|L-Leucine, N-(N-(((3,4,4-trimethyl-1,2-dioxetan-3-yl)methoxy)carbonyl)-L-( phenylalanyl)-, (S)-|N-{(2S)-1-Hydroxy-2-[(hydroxy{[(3S)-3,4,4-trimethyl-1,2-dioxetan-3-yl]methoxy}methylidene)amino]-3-phenylpropylidene}-L-leucine

Molecular Formula	C22H32N2O7
Molecular Weight	436.22095 g/mol
LogP	3.1
Topological Polar Surface Area	123.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	436.22095
Monoisotopic Mass	436.22095
Heavy Atoms	31
Complexity	646.0

Chemical Identifiers

CAS Number	1190-69-8
SMILES	CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC[C@]2(C(OO2)(C)C)C
InChIKey	KUPUXXJTNCZHHR-HOIFWPIMSA-N