| Properties | Image |
|---|
| MNX_ID | MNXM1124042 |
 |
| reference | chebi:161444 |
| formula | C19H27N5O6 |
| global charge | 0 |
| mol weight | 421.454 |
| InChIKey | IILUKIJNFMUBNF-IHRRRGAJSA-N |
| InChI | InChI=1S/C19H27N5O6/c20-12(10-11-4-2-1-3-5-11)17(27)23-13(6-8-15(21)25)18(28)24-14(19(29)30)7-9-16(22)26/h1-5,12-14H,6-10,20H2,(H2,21,25)(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t12-,13-,14-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N5O6/c20-12(10-11-4-2-1-3-5-11)17(27)23-13(6-8-15(21)25)18(28)24-14(19(29)30)7-9-16(22)26/h1-5,12-14H,6-10,20H2,(H2,21,25)(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]([CH2:10][C@@H:12]([C:17](=[N:23][C@@H:13]([CH2:6][CH2:8][C:15](=[NH:21])[OH:25])[C:18](=[N:24][C@@H:14]([CH2:7][CH2:9][C:16](=[NH:22])[OH:26])[C:19](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:20])[CH:5]=[CH:3]1 |
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