| Properties | Image |
|---|
| MNX_ID | MNXM107964 |
 |
| reference | chebi:64747 |
| formula | C34H53N9O18S4 |
| global charge | 0 |
| mol weight | 1004.111 |
| InChIKey | RXJVIYXWFHKGJE-QKSWPAOXSA-N |
| InChI | InChI=1S/C34H53N9O18S4/c35-14(31(54)55)1-5-22(44)38-19(11-63)28(51)41-16(33(58)59)3-7-24(46)40-21(13-65)30(53)43-17(34(60)61)4-8-25(47)39-20(12-64)29(52)42-15(32(56)57)2-6-23(45)37-18(10-62)27(50)36-9-26(48)49/h14-21,62-65H,1-13,35H2,(H,36,50)(H,37,45)(H,38,44)(H,39,47)(H,40,46)(H,41,51)(H,42,52)(H,43,53)(H,48,49)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C34H53N9O18S4/c35-14(31(54)55)1-5-22(44)38-19(11-63)28(51)41-16(33(58)59)3-7-24(46)40-21(13-65)30(53)43-17(34(60)61)4-8-25(47)39-20(12-64)29(52)42-15(32(56)57)2-6-23(45)37-18(10-62)27(50)36-9-26(48)49/h14-21,62-65H,1-13,35H2,(H,36,50)(H,37,45)(H,38,44)(H,39,47)(H,40,46)(H,41,51)(H,42,52)(H,43,53)(H,48,49)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:5][C:22](=[N:38][C@@H:19]([CH2:11][SH:63])[C:28](=[N:41][C@@H:16]([CH2:3][CH2:7][C:24](=[N:40][C@@H:21]([CH2:13][SH:65])[C:30](=[N:43][C@@H:17]([CH2:4][CH2:8][C:25](=[N:39][C@@H:20]([CH2:12][SH:64])[C:29](=[N:42][C@@H:15]([CH2:2][CH2:6][C:23](=[N:37][C@@H:18]([CH2:10][SH:62])[C:27](=[N:36][CH2:9][C:26](=[O:48])[OH:49])[OH:50])[OH:45])[C:32](=[O:56])[OH:57])[OH:52])[OH:47])[C:34](=[O:60])[OH:61])[OH:53])[OH:46])[C:33](=[O:58])[OH:59])[OH:51])[OH:44])[C@@H:14]([C:31](=[O:54])[OH:55])[NH2:35] |
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