| Properties | Image |
|---|
| MNX_ID | MNXM158696 |
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| reference | biggM:CE4723 |
| formula | C29H40N5O9 |
| global charge | -1 |
| mol weight | 602.665 |
| InChIKey | WRNQQFNBEUKAAX-MOGNJTFLSA-M |
| InChI | InChI=1S/C29H41N5O9/c1-16(2)24(26(39)31-20(11-12-23(36)37)28(41)34-14-4-6-22(34)29(42)43)32-25(38)21-5-3-13-33(21)27(40)19(30)15-17-7-9-18(35)10-8-17/h7-10,16,19-22,24,35H,3-6,11-15,30H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)(H,42,43)/p-1/t19-,20-,21-,22-,24+/m1/s1 |
| SMILES | CC(C)[C@H]([NH+]=C([O-])[C@H]1CCCN1C(=O)[C@H]([NH3+])CC1=CC=C(O)C=C1)C([O-])=[NH+][C@H](CCC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H41N5O9/c1-16(2)24(26(39)31-20(11-12-23(36)37)28(41)34-14-4-6-22(34)29(42)43)32-25(38)21-5-3-13-33(21)27(40)19(30)15-17-7-9-18(35)10-8-17/h7-10,16,19-22,24,35H,3-6,11-15,30H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)(H,42,43)/t19-,20-,21-,22-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[C@@H:24]([C:26](=[N:31][C@H:20]([CH2:11][CH2:12][C:23](=[O:36])[OH:37])[C:28]([N:34]1[CH2:14][CH2:4][CH2:6][C@@H:22]1[C:29](=[O:42])[OH:43])=[O:41])[OH:39])[N:32]=[C:25]([C@H:21]1[CH2:5][CH2:3][CH2:13][N:33]1[C:27]([C@@H:19]([CH2:15][C:17]1=[CH:8][CH:10]=[C:18]([OH:35])[CH:9]=[CH:7]1)[NH2:30])=[O:40])[OH:38] |
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