| Properties | Image |
|---|
| MNX_ID | MNXM39942 |
 |
| reference | chebi:60966 |
| formula | C34H52N8O5S |
| global charge | 0 |
| mol weight | 684.908 |
| InChIKey | YRARGFURTNXRCG-DZUOILHNSA-N |
| InChI | InChI=1S/C34H52N8O5S/c1-21(43)38-27(18-22-8-4-3-5-9-22)31(45)40-29(23-12-15-41(16-13-23)34(36)37)33(47)42-20-25-11-7-6-10-24(25)19-28(42)32(46)39-26(30(35)44)14-17-48-2/h6-7,10-11,22-23,26-29H,3-5,8-9,12-20H2,1-2H3,(H2,35,44)(H3,36,37)(H,38,43)(H,39,46)(H,40,45)/t26-,27-,28-,29-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(C(=N)N)CC1)C(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C34H52N8O5S/c1-21(43)38-27(18-22-8-4-3-5-9-22)31(45)40-29(23-12-15-41(16-13-23)34(36)37)33(47)42-20-25-11-7-6-10-24(25)19-28(42)32(46)39-26(30(35)44)14-17-48-2/h6-7,10-11,22-23,26-29H,3-5,8-9,12-20H2,1-2H3,(H2,35,44)(H3,36,37)(H,38,43)(H,39,46)(H,40,45)/t26-,27-,28-,29-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:21](=[N:38][C@@H:27]([CH2:18][CH:22]1[CH2:8][CH2:4][CH2:3][CH2:5][CH2:9]1)[C:31](=[N:40][C@@H:29]([CH:23]1[CH2:12][CH2:15][N:41]([C:34](=[NH:36])[NH2:37])[CH2:16][CH2:13]1)[C:33]([N:42]1[CH2:20][C:25]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:24]2[CH2:19][C@H:28]1[C:32](=[N:39][C@@H:26]([CH2:14][CH2:17][S:48][CH3:2])[C:30](=[NH:35])[OH:44])[OH:46])=[O:47])[OH:45])[OH:43] |
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