| Properties | Image |
|---|
| MNX_ID | MNXM105910 |
 |
| reference | chebi:68063 |
| formula | C48H71N5O14 |
| global charge | 0 |
| mol weight | 942.117 |
| InChIKey | VDALFVIVHBKWES-NODZMMCWSA-N |
| InChI | InChI=1S/C48H71N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-33,38-41,44-45,56H,13,15-16,19-22H2,1-11H3,(H2,49,58)/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+/m0/s1 |
| SMILES | CO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C/C[C@H](OC)[C@H]1C)OC |
MNX internals
| InChI (mnx) | InChI=1/C48H71N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-33,38-41,44-45,56H,13,15-16,19-22H2,1-11H3,(H2,49,58)/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:27]1[CH2:19][C@H:33]([O:66][C:48](=[NH:49])[OH:58])[CH2:21][C:43](=[O:57])[O:67][C@@H:41]([CH2:22][C@@H:40]([C@@H:28]([CH3:2])[CH2:15][CH2:16][C:37]([C@H:30]([CH3:4])[C@@H:44]([C@H:29]([CH3:3])/[CH:17]=[CH:18]/[N:53]([CH3:7])[CH:26]=[O:54])[O:61][CH3:10])=[O:55])[O:60][CH3:9])[C@H:32]([CH3:6])[C@@H:39]([O:59][CH3:8])[CH2:13]/[CH:12]=[CH:14]/[C:42]2=[N:50][C:35](=[CH:24][O:63]2)[C:46]2=[N:52][C:36](=[CH:25][O:65]2)[C:47]2=[N:51][C:34](=[CH:23][O:64]2)[C@H:45]([O:62][CH3:11])[C@@H:31]([CH3:5])[C@@H:38]([OH:56])[CH2:20]1 |
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