| Properties | Image |
|---|
| MNX_ID | MNXM744938 |
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| reference | biggM:trpilelys |
| formula | C23H36N5O4 |
| global charge | 1 |
| mol weight | 446.572 |
| InChIKey | ILDJYIDXESUBOE-REVIMKIASA-O |
| InChI | InChI=1S/C23H35N5O4/c1-3-14(2)20(22(30)27-19(23(31)32)10-6-7-11-24)28-21(29)17(25)12-15-13-26-18-9-5-4-8-16(15)18/h4-5,8-9,13-14,17,19-20,26H,3,6-7,10-12,24-25H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)/p+1/t14?,17-,19-,20+/m1/s1 |
| SMILES | CCC(C)[C@H](NC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H35N5O4/c1-3-14(2)20(22(30)27-19(23(31)32)10-6-7-11-24)28-21(29)17(25)12-15-13-26-18-9-5-4-8-16(15)18/h4-5,8-9,13-14,17,19-20,26H,3,6-7,10-12,24-25H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)/t14?,17-,19-,20+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH:14]([CH3:2])[C@@H:20]([C:22](=[N:27][C@H:19]([CH2:10][CH2:6][CH2:7][CH2:11][NH2:24])[C:23](=[O:31])[OH:32])[OH:30])[N:28]=[C:21]([C@@H:17]([CH2:12][C:15]1=[CH:13][NH:26][C:18]2=[CH:9][CH:5]=[CH:4][CH:8]=[C:16]12)[NH2:25])[OH:29] |
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