| Properties | Image |
|---|
| MNX_ID | MNXM106401 |
 |
| reference | chebi:67320 |
| formula | C28H45N3O5 |
| global charge | 0 |
| mol weight | 503.684 |
| InChIKey | KKNYIFDIQAVMQG-XRODADMRSA-N |
| InChI | InChI=1S/C28H45N3O5/c1-8-9-10-11-12-13-24(32)20(4)27(34)30(5)23(18-21-14-16-22(36-7)17-15-21)28(35)31(6)25(19(2)3)26(29)33/h14-17,19-20,23,25H,8-13,18H2,1-7H3,(H2,29,33)/t20-,23-,25+/m1/s1 |
| SMILES | CCCCCCCC(=O)[C@@H](C)C(=O)N(C)[C@H](CC1=CC=C(OC)C=C1)C(=O)N(C)[C@H](C(N)=O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H45N3O5/c1-8-9-10-11-12-13-24(32)20(4)27(34)30(5)23(18-21-14-16-22(36-7)17-15-21)28(35)31(6)25(19(2)3)26(29)33/h14-17,19-20,23,25H,8-13,18H2,1-7H3,(H2,29,33)/t20-,23-,25+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:24]([C@@H:20]([CH3:4])[C:27]([N:30]([CH3:5])[C@H:23]([CH2:18][C:21]1=[CH:15][CH:17]=[C:22]([O:36][CH3:7])[CH:16]=[CH:14]1)[C:28]([N:31]([CH3:6])[C@@H:25]([CH:19]([CH3:2])[CH3:3])[C:26](=[NH:29])[OH:33])=[O:35])=[O:34])=[O:32] |
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