| Properties | Image |
|---|
| MNX_ID | MNXM1122019 |
 |
| reference | chebi:159408 |
| formula | C21H34N6O4 |
| global charge | 0 |
| mol weight | 434.541 |
| InChIKey | GCXGCIYIHXSKAY-ULQDDVLXSA-N |
| InChI | InChI=1S/C21H34N6O4/c1-13(2)11-15(22)18(28)27-17(12-14-7-4-3-5-8-14)19(29)26-16(20(30)31)9-6-10-25-21(23)24/h3-5,7-8,13,15-17H,6,9-12,22H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)(H4,23,24,25)/t15-,16-,17-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H34N6O4/c1-13(2)11-15(22)18(28)27-17(12-14-7-4-3-5-8-14)19(29)26-16(20(30)31)9-6-10-25-21(23)24/h3-5,7-8,13,15-17H,6,9-12,22H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)(H4,23,24,25)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:11][C@@H:15]([C:18](=[N:27][C@@H:17]([CH2:12][C:14]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[C:19](=[N:26][C@@H:16]([CH2:9][CH2:6][CH2:10][NH:25][C:21](=[NH:23])[NH2:24])[C:20](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:22] |
|