54817-95-7
Benzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(methylamino)thioxomethyl]amino]-, (R)-
NameBenzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(methylamino)thioxomethyl]amino]-, (R)-
1Identification
【Name】
Benzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(methylamino)thioxomethyl]amino]-, (R)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H21N3O4S
【MolWeight】
339.41
【Inchi】
InChI=1S/C15H21N3O4S/c1-15(2,3)22-14(21)18-11(12(19)20)9-6-5-7-10(8-9)17-13(23)16-4/h5-8,11H,1-4H3,(H,18,21)(H,19,20)(H2,16,17,23)/t11-/m1/s1
【InChIKey】
InChIKey=URLVTQBXNZMMBN-LLVKDONJSA-N
【SMILES】
CC(C)(OC(=O)N[C@@H](C(=O)O)C1=CC(=CC=C1)NC(=S)NC)C
【MOL File】
Benzeneacetic acid, ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Benzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(methylamino)thioxomethyl]amino]-, (R)-.cml