N-(o-Nitrophenylthio)-L-isoleucine

(2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid

Also Known As: N-(o-Nitrophenylthio)-L-isoleucine|EINECS 231-700-6|n-[(2-nitrophenyl)sulfanyl]-l-isoleucine|N-[(2-Nitrophenyl)sulfanyl]isoleucine|N-(o-Nitrophenylsulfenyl)-L-isoleucine|(2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid|(2S,3S)-3-METHYL-2-{[(2-NITROPHENYL)SULFANYL]AMINO}PENTANOIC ACID

Molecular Formula	C12H16N2O4S
Molecular Weight	284.08307 g/mol
LogP	2.69
Topological Polar Surface Area	92.47 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	284.08307
Heavy Atoms	19
Complexity	466.8

Chemical Identifiers

CAS Number	7690-79-1
SMILES	CC[C@H](C)[C@@H](C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]