| Properties | Image |
|---|
| MNX_ID | MNXM39939 |
 |
| reference | chebi:60986 |
| formula | C53H73N11O9 |
| global charge | 0 |
| mol weight | 1008.235 |
| InChIKey | OUOIXSGQETWBKO-NIGJHBLGSA-N |
| InChI | InChI=1S/C53H73N11O9/c1-5-6-21-39(51(71)63-27-24-38(34-17-11-8-12-18-34)44(63)47(68)58-41(30-65)49-59-42(31-73-49)50(70)61(3)4)57-48(69)45-37-20-14-13-19-36(37)29-64(45)52(72)43(35-22-25-62(26-23-35)53(54)55)60-46(67)40(56-32(2)66)28-33-15-9-7-10-16-33/h8,11-14,17-20,31,33,35,38-41,43-45,65H,5-7,9-10,15-16,21-30H2,1-4H3,(H3,54,55)(H,56,66)(H,57,69)(H,58,68)(H,60,67)/t38-,39+,40+,41+,43+,44+,45+/m1/s1 |
| SMILES | CCCC[C@H](NC(=O)[C@@H]1C2=CC=CC=C2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(C(=N)N)CC1)C(=O)N1CC[C@H](C2=CC=CC=C2)[C@H]1C(=O)N[C@@H](CO)C1=NC(C(=O)N(C)C)=CO1 |
MNX internals
| InChI (mnx) | InChI=1/C53H73N11O9/c1-5-6-21-39(51(71)63-27-24-38(34-17-11-8-12-18-34)44(63)47(68)58-41(30-65)49-59-42(31-73-49)50(70)61(3)4)57-48(69)45-37-20-14-13-19-36(37)29-64(45)52(72)43(35-22-25-62(26-23-35)53(54)55)60-46(67)40(56-32(2)66)28-33-15-9-7-10-16-33/h8,11-14,17-20,31,33,35,38-41,43-45,65H,5-7,9-10,15-16,21-30H2,1-4H3,(H3,54,55)(H,56,66)(H,57,69)(H,58,68)(H,60,67)/t38-,39+,40+,41+,43+,44+,45+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:21][C@@H:39]([C:51]([N:63]1[CH2:27][CH2:24][C@H:38]([C:34]2=[CH:17][CH:11]=[CH:8][CH:12]=[CH:18]2)[C@H:44]1[C:47](=[N:58][C@@H:41]([CH2:30][OH:65])[C:49]1=[N:59][C:42]([C:50]([N:61]([CH3:3])[CH3:4])=[O:70])=[CH:31][O:73]1)[OH:68])=[O:71])[N:57]=[C:48]([C@@H:45]1[C:37]2=[CH:20][CH:14]=[CH:13][CH:19]=[C:36]2[CH2:29][N:64]1[C:52]([C@H:43]([CH:35]1[CH2:22][CH2:25][N:62]([C:53](=[NH:54])[NH2:55])[CH2:26][CH2:23]1)[N:60]=[C:46]([C@H:40]([CH2:28][CH:33]1[CH2:15][CH2:9][CH2:7][CH2:10][CH2:16]1)[N:56]=[C:32]([CH3:2])[OH:66])[OH:67])=[O:72])[OH:69] |
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