| Properties | Image |
|---|
| MNX_ID | MNXM103966 |
 |
| reference | chebi:67316 |
| formula | C42H57N5O7 |
| global charge | 0 |
| mol weight | 743.946 |
| InChIKey | DYRQQWGTDVBUND-NRYNYGQJSA-N |
| InChI | InChI=1S/C42H57N5O7/c1-8-9-12-23-34-42(4,5)41(53)44-36(28(2)3)40(52)46(7)33(26-30-20-15-11-16-21-30)39(51)47-24-17-22-31(47)38(50)45(6)32(25-29-18-13-10-14-19-29)37(49)43-27-35(48)54-34/h8,10-11,13-16,18-21,28,31-34,36H,1,9,12,17,22-27H2,2-7H3,(H,43,49)(H,44,53)/t31-,32-,33-,34-,36-/m0/s1 |
| SMILES | C=CCCC[C@@H]1OC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C42H57N5O7/c1-8-9-12-23-34-42(4,5)41(53)44-36(28(2)3)40(52)46(7)33(26-30-20-15-11-16-21-30)39(51)47-24-17-22-31(47)38(50)45(6)32(25-29-18-13-10-14-19-29)37(49)43-27-35(48)54-34/h8,10-11,13-16,18-21,28,31-34,36H,1,9,12,17,22-27H2,2-7H3,(H,43,49)(H,44,53)/t31-,32-,33-,34-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:8][CH2:9][CH2:12][CH2:23][C@H:34]1[C:42]([CH3:4])([CH3:5])[C:41]([OH:53])=[N:44][C@@H:36]([CH:28]([CH3:2])[CH3:3])[C:40](=[O:52])[N:46]([CH3:7])[C@@H:33]([CH2:26][C:30]2=[CH:20][CH:15]=[CH:11][CH:16]=[CH:21]2)[C:39](=[O:51])[N:47]2[CH2:24][CH2:17][CH2:22][C@H:31]2[C:38](=[O:50])[N:45]([CH3:6])[C@@H:32]([CH2:25][C:29]2=[CH:18][CH:13]=[CH:10][CH:14]=[CH:19]2)[C:37]([OH:49])=[N:43][CH2:27][C:35](=[O:48])[O:54]1 |
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