alpha,N-(epsilon,N-DNP-aminocaproyl)-epsilon,N-DNP-L-lysine dicyclohexylammonium salt

Properties Image MNX_ID MNXM40924 reference chebi:61113 formula C36H52N8O11 global charge 0 mol weight 772.857 InChIKey UTICXMJDWITBEH-BDQAORGHSA-N InChI InChI=1S/C24H29N7O11.C12H23N/c32-23(7-2-1-4-12-25-18-10-8-16(28(35)36)14-21(18)30(39)40)27-20(24(33)34)6-3-5-13-26-19-11-9-17(29(37)38)15-22(19)31(41)42;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-11,14-15,20,25-26H,1-7,12-13H2,(H,27,32)(H,33,34);11-13H,1-10H2/t20-;/m0./s1 SMILES C1CCC([NH2+]C2CCCCC2)CC1.O=C(CCCCCNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])N[C@@H](CCCCNC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C24H29N7O11.C12H23N/c32-23(7-2-1-4-12-25-18-10-8-16(28(35)36)14-21(18)30(39)40)27-20(24(33)34)6-3-5-13-26-19-11-9-17(29(37)38)15-22(19)31(41)42;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-11,14-15,20,25-26H,1-7,12-13H2,(H,27,32)(H,33,34);11-13H,1-10H2/t20-;/m0./s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:7][C:23](=[N:27][C@@H:20]([CH2:6][CH2:3][CH2:5][CH2:13][NH:26][C:19]1=[C:22]([N+:31]([O-:41])=[O:42])[CH:15]=[C:17]([N+:29]([O-:37])=[O:38])[CH:9]=[CH:11]1)[C:24](=[O:33])[OH:34])[OH:32])[CH2:4][CH2:12][NH:25][C:18]1=[C:21]([N+:30]([O-:39])=[O:40])[CH:14]=[C:16]([N+:28]([O-:35])=[O:36])[CH:8]=[CH:10]1.[CH2:43]1[CH2:45][CH2:49][CH:53]([NH:55][CH:54]2[CH2:51][CH2:47][CH2:44][CH2:48][CH2:52]2)[CH2:50][CH2:46]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0