| Properties | Image |
|---|
| MNX_ID | MNXM1127196 |
 |
| reference | chebi:164615 |
| formula | C21H29N5O4 |
| global charge | 0 |
| mol weight | 415.494 |
| InChIKey | ZSKJIISDJXJQPV-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H29N5O4/c1-13(2)8-17(25-19(27)16(22)10-15-11-23-12-24-15)20(28)26-18(21(29)30)9-14-6-4-3-5-7-14/h3-7,11-13,16-18H,8-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t16-,17-,18-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H29N5O4/c1-13(2)8-17(25-19(27)16(22)10-15-11-23-12-24-15)20(28)26-18(21(29)30)9-14-6-4-3-5-7-14/h3-7,11-13,16-18H,8-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:8][C@@H:17]([C:20](=[N:26][C@@H:18]([CH2:9][C:14]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:21](=[O:29])[OH:30])[OH:28])[N:25]=[C:19]([C@H:16]([CH2:10][C:15]1=[CH:11][N:23]=[CH:12][NH:24]1)[NH2:22])[OH:27] |
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