| Properties | Image |
|---|
| MNX_ID | MNXM1122996 |
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| reference | chebi:160394 |
| formula | C21H35N5O5 |
| global charge | 0 |
| mol weight | 437.541 |
| InChIKey | WINFHLHJTRGLCV-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H35N5O5/c22-11-3-1-5-16(24)19(28)26-18(13-14-7-9-15(27)10-8-14)20(29)25-17(21(30)31)6-2-4-12-23/h7-10,16-18,27H,1-6,11-13,22-24H2,(H,25,29)(H,26,28)(H,30,31)/t16-,17-,18-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H35N5O5/c22-11-3-1-5-16(24)19(28)26-18(13-14-7-9-15(27)10-8-14)20(29)25-17(21(30)31)6-2-4-12-23/h7-10,16-18,27H,1-6,11-13,22-24H2,(H,25,29)(H,26,28)(H,30,31)/t16-,17-,18-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][CH2:11][NH2:22])[CH2:5][C@@H:16]([C:19](=[N:26][C@@H:18]([CH2:13][C:14]1=[CH:8][CH:10]=[C:15]([OH:27])[CH:9]=[CH:7]1)[C:20](=[N:25][C@@H:17]([CH2:6][CH2:2][CH2:4][CH2:12][NH2:23])[C:21](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:24] |
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