| Properties | Image |
|---|
| MNX_ID | MNXM63193 |
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| reference | chebi:63870 |
| formula | C50H74N10O12 |
| global charge | 0 |
| mol weight | 1007.2 |
| InChIKey | LUCXYJNVXGTVDX-HMLAGTQQSA-N |
| InChI | InChI=1S/C50H74N10O12/c1-26(2)20-38(58-45(66)35(51)16-17-40(62)63)47(68)56-29(7)43(64)53-19-18-52-37(23-33-25-54-36-15-10-9-14-34(33)36)46(67)55-24-31-12-11-13-32(22-31)44(65)57-39(21-27(3)4)48(69)60-42(30(8)61)49(70)59-41(28(5)6)50(71)72/h9-15,22,25-30,35,37-39,41-42,52,54,61H,16-21,23-24,51H2,1-8H3,(H,53,64)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,70)(H,60,69)(H,62,63)(H,71,72)/t29-,30+,35-,37-,38-,39-,41-,42-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)C1=CC(CNC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NCCNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)=CC=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C50H74N10O12/c1-26(2)20-38(58-45(66)35(51)16-17-40(62)63)47(68)56-29(7)43(64)53-19-18-52-37(23-33-25-54-36-15-10-9-14-34(33)36)46(67)55-24-31-12-11-13-32(22-31)44(65)57-39(21-27(3)4)48(69)60-42(30(8)61)49(70)59-41(28(5)6)50(71)72/h9-15,22,25-30,35,37-39,41-42,52,54,61H,16-21,23-24,51H2,1-8H3,(H,53,64)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,70)(H,60,69)(H,62,63)(H,71,72)/t29-,30+,35-,37-,38-,39-,41-,42-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:26]([CH3:2])[CH2:20][C@@H:38]([C:47](=[N:56][C@@H:29]([CH3:7])[C:43](=[N:53][CH2:19][CH2:18][NH:52][C@@H:37]([CH2:23][C:33]1=[CH:25][NH:54][C:36]2=[CH:15][CH:10]=[CH:9][CH:14]=[C:34]12)[C:46](=[N:55][CH2:24][C:31]1=[CH:22][C:32]([C:44](=[N:57][C@@H:39]([CH2:21][CH:27]([CH3:3])[CH3:4])[C:48](=[N:60][C@@H:42]([C@@H:30]([CH3:8])[OH:61])[C:49](=[N:59][C@@H:41]([CH:28]([CH3:5])[CH3:6])[C:50](=[O:71])[OH:72])[OH:70])[OH:69])[OH:65])=[CH:13][CH:11]=[CH:12]1)[OH:67])[OH:64])[OH:68])[N:58]=[C:45]([C@H:35]([CH2:16][CH2:17][C:40](=[O:62])[OH:63])[NH2:51])[OH:66] |
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