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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20N2O6
Molecular Weight 324.3291
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[(1,1-Dimethylethoxy)carbonyl]-3-nitro-L-phenylalanine methyl ester

SMILES

COC(=O)[C@H](CC1=CC=CC(=C1)[N+]([O-])=O)NC(=O)OC(C)(C)C

InChI

InChIKey=JBYOYWWNOYQKJQ-LBPRGKRZSA-N
InChI=1S/C15H20N2O6/c1-15(2,3)23-14(19)16-12(13(18)22-4)9-10-6-5-7-11(8-10)17(20)21/h5-8,12H,9H2,1-4H3,(H,16,19)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20N2O6
Molecular Weight 324.3291
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2X7S8TPU8Q
Record Status Validated (UNII)
Record Version