| Properties | Image |
|---|
| MNX_ID | MNXM39929 |
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| reference | chebi:60967 |
| formula | C31H48N8O5S |
| global charge | 0 |
| mol weight | 644.843 |
| InChIKey | UCSIGHLEKGDKEA-CQJMVLFOSA-N |
| InChI | InChI=1S/C31H48N8O5S/c1-19(40)36-25(17-20-9-4-3-5-10-20)28(42)38-24(13-8-15-35-31(33)34)30(44)39-18-21-11-6-7-12-22(21)26(39)29(43)37-23(27(32)41)14-16-45-2/h6-7,11-12,20,23-26H,3-5,8-10,13-18H2,1-2H3,(H2,32,41)(H,36,40)(H,37,43)(H,38,42)(H4,33,34,35)/t23-,24-,25-,26-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1C2=CC=CC=C2CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C31H48N8O5S/c1-19(40)36-25(17-20-9-4-3-5-10-20)28(42)38-24(13-8-15-35-31(33)34)30(44)39-18-21-11-6-7-12-22(21)26(39)29(43)37-23(27(32)41)14-16-45-2/h6-7,11-12,20,23-26H,3-5,8-10,13-18H2,1-2H3,(H2,32,41)(H,36,40)(H,37,43)(H,38,42)(H4,33,34,35)/t23-,24-,25-,26-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:19](=[N:36][C@@H:25]([CH2:17][CH:20]1[CH2:9][CH2:4][CH2:3][CH2:5][CH2:10]1)[C:28](=[N:38][C@@H:24]([CH2:13][CH2:8][CH2:15][NH:35][C:31](=[NH:33])[NH2:34])[C:30]([N:39]1[CH2:18][C:21]2=[CH:11][CH:6]=[CH:7][CH:12]=[C:22]2[C@H:26]1[C:29](=[N:37][C@@H:23]([CH2:14][CH2:16][S:45][CH3:2])[C:27](=[NH:32])[OH:41])[OH:43])=[O:44])[OH:42])[OH:40] |
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