| Properties | Image |
|---|
| MNX_ID | MNXM1122612 |
 |
| reference | chebi:160006 |
| formula | C21H30N6O4 |
| global charge | 0 |
| mol weight | 430.509 |
| InChIKey | ZMMDPRTXLAEMOD-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H30N6O4/c22-9-5-4-8-16(23)19(28)26-17(11-15-12-24-13-25-15)20(29)27-18(21(30)31)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,16-18H,4-5,8-11,22-23H2,(H,24,25)(H,26,28)(H,27,29)(H,30,31)/t16-,17-,18-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H30N6O4/c22-9-5-4-8-16(23)19(28)26-17(11-15-12-24-13-25-15)20(29)27-18(21(30)31)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,16-18H,4-5,8-11,22-23H2,(H,24,25)(H,26,28)(H,27,29)(H,30,31)/t16-,17-,18-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:14]([CH2:10][C@@H:18]([C:21](=[O:30])[OH:31])[N:27]=[C:20]([C@H:17]([CH2:11][C:15]2=[CH:12][N:24]=[CH:13][NH:25]2)[N:26]=[C:19]([C@H:16]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:22])[NH2:23])[OH:28])[OH:29])[CH:7]=[CH:3]1 |
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