| Properties | Image |
|---|
| MNX_ID | MNXM741746 |
 |
| reference | chebi:86403 |
| formula | C40H63N5O3 |
| global charge | 0 |
| mol weight | 661.976 |
| InChIKey | YCIUCIBXUZOYMY-WCEMGWLASA-N |
| InChI | InChI=1S/C40H63N5O3/c1-23(9-10-26-31(46)32(47)35(48-26)45-22-44-30-33(41)42-21-43-34(30)45)24-13-18-37(4)25(24)14-19-39(6)28(37)11-12-29-38(5)17-8-16-36(2,3)27(38)15-20-40(29,39)7/h21-29,31-32,35,46-47H,8-20H2,1-7H3,(H2,41,42,43)/t23?,24?,25-,26+,27-,28+,29+,31+,32+,35+,37-,38-,39+,40+/m0/s1 |
| SMILES | CC(CC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O)C1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C40H63N5O3/c1-23(9-10-26-31(46)32(47)35(48-26)45-22-44-30-33(41)42-21-43-34(30)45)24-13-18-37(4)25(24)14-19-39(6)28(37)11-12-29-38(5)17-8-16-36(2,3)27(38)15-20-40(29,39)7/h21-29,31-32,35,46-47H,8-20H2,1-7H3,(H2,41,42,43)/t23?,24?,25-,26+,27-,28+,29+,31+,32+,35+,37-,38-,39+,40+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:23]([CH2:9][CH2:10][C@@H:26]1[C@@H:31]([OH:46])[C@@H:32]([OH:47])[C@H:35]([N:45]2[CH:22]=[N:44][C:30]3=[C:33]([NH2:41])[N:42]=[CH:21][N:43]=[C:34]32)[O:48]1)[CH:24]1[CH2:13][CH2:18][C@@:37]2([CH3:4])[C@H:25]1[CH2:14][CH2:19][C@:39]1([CH3:6])[C@@H:28]2[CH2:11][CH2:12][C@@H:29]2[C@@:38]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:36]([CH3:2])([CH3:3])[C@@H:27]3[CH2:15][CH2:20][C@:40]21[CH3:7] |
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