AC1L48XU

(2R)-3-[[2-carboxy-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]ethyl]disulfanyl]-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid

Also Known As: L-Cystine, N,N'-bis((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-|L-Cystine, N,N'-bis[(5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-|(2R)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-[[2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-hydroxy-3-oxopropyl]disulfanyl]propanoic acid|N,N'-Bis[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]-L-cystine|N,N'-Bis[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]cystine

Molecular Formula	C28H26Cl2N2O10S2
Molecular Weight	684.0406 g/mol
LogP	4.0
Topological Polar Surface Area	236.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	11
Exact Mass	684.0406
Monoisotopic Mass	684.0406
Heavy Atoms	44
Complexity	1060.0

Chemical Identifiers

CAS Number	64398-40-9
SMILES	CC1CC2=C(C=C(C=C2Cl)C(=O)N[C@@H](CSSCC(C(=O)O)NC(=O)C3=CC4=C(CC(OC4=O)C)C(=C3)Cl)C(=O)O)C(=O)O1
InChIKey	LKKCLZAFPUVSTI-ZVYHQXNFSA-N