Catalog Number:
AG00EL8P
Chemical Name:
L-Histidine, 1-(2,4-dinitrophenyl)-N-[(phenylMethoxy)carbonyl]-
CAS Number:
63013-46-7
Molecular Formula:
C20H17N5O8
Molecular Weight:
455.3777
MDL Number:
MFCD20264817
IUPAC Name:
(2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C20H17N5O8/c26-19(27)16(22-20(28)33-11-13-4-2-1-3-5-13)8-14-10-23(12-21-14)17-7-6-15(24(29)30)9-18(17)25(31)32/h1-7,9-10,12,16H,8,11H2,(H,22,28)(H,26,27)/t16-/m0/s1
InChI Key:
GHVOUAVUVLSUDB-INIZCTEOSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ncn(c1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCc1ccccc1
