| Properties | Image |
|---|
| MNX_ID | MNXM103256 |
 |
| reference | chebi:69766 |
| formula | C45H58N10O9 |
| global charge | 0 |
| mol weight | 883.02 |
| InChIKey | IHTGVVXTXBFTBZ-GZLFKYFISA-N |
| InChI | InChI=1S/C45H58N10O9/c1-4-25(2)38-43(62)48-24-37(57)49-26(3)44(63)54-18-10-16-34(54)41(60)51-32(21-28-23-47-30-15-9-8-14-29(28)30)39(58)52-33(22-36(46)56)45(64)55-19-11-17-35(55)42(61)50-31(40(59)53-38)20-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-35,38,47H,4,10-11,16-22,24H2,1-3H3,(H2,46,56)(H,48,62)(H,49,57)(H,50,61)(H,51,60)(H,52,58)(H,53,59)/t25-,26-,31-,32-,33-,34-,35-,38-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC1=O |
MNX internals
| InChI (mnx) | InChI=1/C45H58N10O9/c1-4-25(2)38-43(62)48-24-37(57)49-26(3)44(63)54-18-10-16-34(54)41(60)51-32(21-28-23-47-30-15-9-8-14-29(28)30)39(58)52-33(22-36(46)56)45(64)55-19-11-17-35(55)42(61)50-31(40(59)53-38)20-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-35,38,47H,4,10-11,16-22,24H2,1-3H3,(H2,46,56)(H,48,62)(H,49,57)(H,50,61)(H,51,60)(H,52,58)(H,53,59)/t25-,26-,31-,32-,33-,34-,35-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:25]([CH3:2])[C@H:38]1[C:43]([OH:62])=[N:48][CH2:24][C:37]([OH:57])=[N:49][C@@H:26]([CH3:3])[C:44](=[O:63])[N:54]2[CH2:18][CH2:10][CH2:16][C@H:34]2[C:41]([OH:60])=[N:51][C@@H:32]([CH2:21][C:28]2=[CH:23][NH:47][C:30]3=[CH:15][CH:9]=[CH:8][CH:14]=[C:29]23)[C:39]([OH:58])=[N:52][C@@H:33]([CH2:22][C:36](=[NH:46])[OH:56])[C:45](=[O:64])[N:55]2[CH2:19][CH2:11][CH2:17][C@H:35]2[C:42]([OH:61])=[N:50][C@@H:31]([CH2:20][C:27]2=[CH:12][CH:6]=[CH:5][CH:7]=[CH:13]2)[C:40]([OH:59])=[N:53]1 |
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