| Properties | Image |
|---|
| MNX_ID | MNXM1122660 |
 |
| reference | chebi:160054 |
| formula | C23H35N5O4 |
| global charge | 0 |
| mol weight | 445.564 |
| InChIKey | GFWLIJDQILOEPP-HSCHXYMDSA-N |
| InChI | InChI=1S/C23H35N5O4/c1-3-14(2)20(28-21(29)17(25)9-6-7-11-24)22(30)27-19(23(31)32)12-15-13-26-18-10-5-4-8-16(15)18/h4-5,8,10,13-14,17,19-20,26H,3,6-7,9,11-12,24-25H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)/t14-,17-,19-,20-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H35N5O4/c1-3-14(2)20(28-21(29)17(25)9-6-7-11-24)22(30)27-19(23(31)32)12-15-13-26-18-10-5-4-8-16(15)18/h4-5,8,10,13-14,17,19-20,26H,3,6-7,9,11-12,24-25H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)/t14-,17-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:14]([CH3:2])[C@@H:20]([C:22](=[N:27][C@@H:19]([CH2:12][C:15]1=[CH:13][NH:26][C:18]2=[CH:10][CH:5]=[CH:4][CH:8]=[C:16]12)[C:23](=[O:31])[OH:32])[OH:30])[N:28]=[C:21]([C@H:17]([CH2:9][CH2:6][CH2:7][CH2:11][NH2:24])[NH2:25])[OH:29] |
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