| Properties | Image |
|---|
| MNX_ID | MNXM1252429 |
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| reference | envipathM:...f2e5cc0d2279 |
| formula | C17H21N2O8 |
| global charge | -1 |
| mol weight | 381.361 |
| InChIKey | BEDQNFNHNZNFBP-UHFFFAOYSA-M |
| InChI | InChI=1S/C17H22N2O8/c18-15(22)25-7-1-2-8-26-16(23)19-12-5-3-11(4-6-12)9-17(24,14(20)21)13-10-27-13/h3-6,13,24H,1-2,7-10H2,(H2,18,22)(H,19,23)(H,20,21)/p-1 |
| SMILES | NC(=O)OCCCCOC(=O)NC1=CC=C(CC(O)(C(=O)[O-])C2CO2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C17H22N2O8/c18-15(22)25-7-1-2-8-26-16(23)19-12-5-3-11(4-6-12)9-17(24,14(20)21)13-10-27-13/h3-6,13,24H,1-2,7-10H2,(H2,18,22)(H,19,23)(H,20,21)/t13?,17? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][O:26][C:16]([NH:19][C:12]1=[CH:6][CH:4]=[C:11]([CH2:9][C:17]([CH:13]2[CH2:10][O:27]2)([C:14](=[O:20])[OH:21])[OH:24])[CH:3]=[CH:5]1)=[O:23])[CH2:7][O:25][C:15](=[NH:18])[OH:22] |
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