| Properties | Image |
|---|
| MNX_ID | MNXM1195247 |
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| reference | envipathM:...c3ca21a42c47 |
| formula | C21H27N2O5 |
| global charge | -1 |
| mol weight | 387.456 |
| InChIKey | ATKHEFSORGDRMZ-GAOXESHGSA-M |
| InChI | InChI=1S/C21H28N2O5/c1-14(22-21(28,13-24)11-10-15-6-3-2-4-7-15)19(25)23-17-9-5-8-16(17)12-18(23)20(26)27/h2-4,6-7,13-14,16-18,22,28H,5,8-12H2,1H3,(H,26,27)/p-1/t14-,16-,17-,18-,21+/m0/s1 |
| SMILES | C[C@H](N[C@](O)(C=O)CCC1=CC=CC=C1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C21H28N2O5/c1-14(22-21(28,13-24)11-10-15-6-3-2-4-7-15)19(25)23-17-9-5-8-16(17)12-18(23)20(26)27/h2-4,6-7,13-14,16-18,22,28H,5,8-12H2,1H3,(H,26,27)/t14-,16-,17-,18-,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]([C:19]([N:23]1[C@H:17]2[CH2:9][CH2:5][CH2:8][C@H:16]2[CH2:12][C@H:18]1[C:20](=[O:26])[OH:27])=[O:25])[NH:22][C@@:21]([CH2:11][CH2:10][C:15]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)([CH:13]=[O:24])[OH:28] |
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