| Properties | Image |
|---|
| MNX_ID | MNXM530597 |
 |
| reference | chebi:95650 |
| formula | C30H41N3O5S |
| global charge | 0 |
| mol weight | 555.741 |
| InChIKey | DIBJIDYNEHVBAV-JWZKTCGFSA-N |
| InChI | InChI=1S/C30H41N3O5S/c1-22-19-33(23(2)21-34)39(36,37)29-17-16-25(15-14-24-10-6-4-7-11-24)18-27(29)38-28(22)20-32(3)30(35)31-26-12-8-5-9-13-26/h4,6-7,10-11,14-18,22-23,26,28,34H,5,8-9,12-13,19-21H2,1-3H3,(H,31,35)/t22-,23+,28-/m0/s1 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)OC2=C(C=CC(C=CC3=CC=CC=C3)=C2)S1(=O)=O |
MNX internals
| InChI (mnx) | InChI=1/C30H41N3O5S/c1-22-19-33(23(2)21-34)39(36,37)29-17-16-25(15-14-24-10-6-4-7-11-24)18-27(29)38-28(22)20-32(3)30(35)31-26-12-8-5-9-13-26/h4,6-7,10-11,14-18,22-23,26,28,34H,5,8-9,12-13,19-21H2,1-3H3,(H,31,35)/b15-14?/t22-,23+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]1[CH2:19][N:33]([C@H:23]([CH3:2])[CH2:21][OH:34])[S:39](=[O:36])(=[O:37])[C:29]2=[C:27]([CH:18]=[C:25]([CH:15]=[CH:14][C:24]3=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]3)[CH:16]=[CH:17]2)[O:38][C@H:28]1[CH2:20][N:32]([CH3:3])[C:30](=[N:31][CH:26]1[CH2:12][CH2:8][CH2:5][CH2:9][CH2:13]1)[OH:35] |
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