| Properties | Image |
|---|
| MNX_ID | MNXM744645 |
 |
| reference | biggM:asntyrthr |
| formula | C17H24N4O7 |
| global charge | 0 |
| mol weight | 396.4 |
| InChIKey | XEGZSHSPQNDNRH-RBQWDTSBSA-N |
| InChI | InChI=1S/C17H24N4O7/c1-8(22)14(17(27)28)21-16(26)12(6-9-2-4-10(23)5-3-9)20-15(25)11(18)7-13(19)24/h2-5,8,11-12,14,22-23H,6-7,18H2,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,27,28)/t8-,11+,12-,14+/m0/s1 |
| SMILES | C[C@H](O)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H24N4O7/c1-8(22)14(17(27)28)21-16(26)12(6-9-2-4-10(23)5-3-9)20-15(25)11(18)7-13(19)24/h2-5,8,11-12,14,22-23H,6-7,18H2,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,27,28)/t8-,11+,12-,14+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]([C@H:14]([C:17](=[O:27])[OH:28])[N:21]=[C:16]([C@H:12]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:23])[CH:4]=[CH:2]1)[N:20]=[C:15]([C@@H:11]([CH2:7][C:13](=[NH:19])[OH:24])[NH2:18])[OH:25])[OH:26])[OH:22] |
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