MF: C23H28N2O7
MW: 444.5g/mol
IUPAC Name: (3S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-oxobutanoic acid
Isomeric SMILES: COC1=C(C=C(C=C1)CCCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)O
InChIKey: WJYNYVNIRKZJOZ-ROUUACIJSA-N
InChI: InChI=1S/C23H28N2O7/c1-32-20-10-9-16(13-19(20)26)8-5-11-24-17(14-21(27)28)22(29)25-18(23(30)31)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17-18,24,26H,5,8,11-12,14H2,1H3,(H,25,29)(H,27,28)(H,30,31)/t17-,18-/m0/s1
