CAS: 951393-57-0 - 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, hydrate (1:?), (2S,3aR,7aS)-

Fórmula:C₂₂H₃₀N₂O₅.xH₂O

InChI:InChI=1S/C22H30N2O5.H2O/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29;/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29);1H2/t14-,16+,17-,18-,19-;/m0./s1

Clave InChI:InChIKey=RCVUTQVXMHPLKS-CNTNIUBLSA-N

SMILES:O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCC=3C=CC=CC3.O