Synonyms
RTR-004287; (2S,3S)-2-[(tert-butoxycarbonyl)amino]-3-methylpentanoic acid; Boc-Ile-OH hemihydrate; N-Boc-L-isoleucine; MFCD00038324; N-(tert-Butoxycarbonyl)-L-isoleucine; J-003398; ZINC1576249; Jsp001887; N-tert-Butoxycarbonyl-L-isoleucine;
IUPAC Name
(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;
Molecular Weight
231.292g/mol
Molecular Formula
C11H21NO4;
InChI
InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1;
InChI Key
QJCNLJWUIOIMMF-YUMQZZPRSA-N;
Storage
−20°C
Complexity
257
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
EC Number
236-074-8
Exact Mass
231.147g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
16
Monoisotopic Mass
231.147g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
75.6A^2
