| Properties | Image |
|---|
| MNX_ID | MNXM168267 |
 |
| reference | chebi:160198 |
| formula | C21H35N5O4 |
| global charge | 0 |
| mol weight | 421.542 |
| InChIKey | AZOFEHCPMBRNFD-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H35N5O4/c22-12-6-4-10-16(24)19(27)26-18(14-15-8-2-1-3-9-15)20(28)25-17(21(29)30)11-5-7-13-23/h1-3,8-9,16-18H,4-7,10-14,22-24H2,(H,25,28)(H,26,27)(H,29,30)/t16-,17-,18-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H35N5O4/c22-12-6-4-10-16(24)19(27)26-18(14-15-8-2-1-3-9-15)20(28)25-17(21(29)30)11-5-7-13-23/h1-3,8-9,16-18H,4-7,10-14,22-24H2,(H,25,28)(H,26,27)(H,29,30)/t16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:8]=[C:15]([CH2:14][C@@H:18]([C:20](=[N:25][C@@H:17]([CH2:11][CH2:5][CH2:7][CH2:13][NH2:23])[C:21](=[O:29])[OH:30])[OH:28])[N:26]=[C:19]([C@H:16]([CH2:10][CH2:4][CH2:6][CH2:12][NH2:22])[NH2:24])[OH:27])[CH:9]=[CH:3]1 |
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