115654-39-2
(S)-[2-[[(TERT-BUTOXY)CARBONYL]AMINO]-4-METHYLPENTYL]CARBAMIC ACID BENZYL ESTER
Name(S)-[2-[[(TERT-BUTOXY)CARBONYL]AMINO]-4-METHYLPENTYL]CARBAMIC ACID BENZYL ESTER
1Identification
【Name】
(S)-[2-[[(TERT-BUTOXY)CARBONYL]AMINO]-4-METHYLPENTYL]CARBAMIC ACID BENZYL ESTER
【CAS】
【MDL】
MFCD09271799
【English Synonyms】
【Formula】
C19 H30 N2 O4
【MolWeight】
350.456
【Inchi】
InChI=1S/C19H30N2O4/c1-14(2)11-16(21-18(23)25-19(3,4)5)12-20-17(22)24-13-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,21,23)/t16-/m0/s1
【InChIKey】
InChIKey=JOACFOPTTPUWSD-INIZCTEOSA-N
【SMILES】
CC(C)C[C@@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
【MOL File】
(S)-[2-[[(TERT-BUTOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-[2-[[(TERT-BUTOXY)CARBONYL]AMINO]-4-METHYLPENTYL]CARBAMIC ACID BENZYL ESTER.cml