5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol

Molecular Formula: C41H62N4O15


InChI: InChI=1/C27H28N2O5.2C7H17NO5/c30-25(28-21-14-19(26(31)32)13-20(15-21)27(33)34)22-16-23(18-10-6-3-7-11-18)29-24(22)12-17-8-4-1-2-5-9-17;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h3,6-7,10-11,13-17,29H,1-2,4-5,8-9,12H2,(H,28,30)(H,31,32)(H,33,34);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/s1/f/h28,31,33H;;

InChIKey: InChIKey=LXTTVVDHTWSUPJ-SJMRBCADDL
SMILES: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C1CCCC(CC1)CC2=C(C=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Names:
    5-[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol

Registries:
    PubChem CID 11578755
    PubChem ID 16680994