| Properties | Image |
|---|
| MNX_ID | MNXM1364549 |
 |
| reference | seedM:cpd18004 |
| formula | C35H35N4O5 |
| global charge | -1 |
| mol weight | 591.688 |
| InChIKey | JREQNICTYYSGGQ-MXPPUTRTSA-M |
| InChI | InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36,39H,9-11H2,1-7H3,(H,40,41)/p-1/b19-8?,24-12-,26-13-,27-14-/t17-,21-/m0/s1 |
| SMILES | CC=C1C(C)=C2/C=C3\N=C(C4=C(C(=O)OC)C(=O)C5=C4NC(=C5C)/C=C4\N=C(/C=C/1N2)C(C)=C4CC)[C@@H](CCC(=O)[O-])[C@@H]3C |
MNX internals
| InChI (mnx) | InChI=1/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36,39H,9-11H2,1-7H3,(H,40,41)/b19-8-,24-12-,26-13-,27-14-/t17-,21-/m0/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:8]=[C:19]1[C:15](/[CH3:3])=[C:22]2/[CH:12]=[C:24]3/[C@@H:17]([CH3:5])[C@H:21]([CH2:10][CH2:11][C:28](=[O:40])[OH:41])[C:32](=[N:38]3)[C:30]3=[C:31]([C:35](=[O:43])[O:44][CH3:7])[C:34](=[O:42])[C:29]4=[C:33]3[NH:39][C:25](=[C:18]4[CH3:6])/[CH:14]=[C:27]3/[C:20]([CH2:9][CH3:2])=[C:16]([CH3:4])[C:23](=[N:37]3)/[CH:13]=[C:26]/1[NH:36]2 |
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