| Properties | Image |
|---|
| MNX_ID | MNXM744839 |
 |
| reference | biggM:phepheasn |
| formula | C22H26N4O5 |
| global charge | 0 |
| mol weight | 426.473 |
| InChIKey | OWSLLRKCHLTUND-FGTMMUONSA-N |
| InChI | InChI=1S/C22H26N4O5/c23-16(11-14-7-3-1-4-8-14)20(28)25-17(12-15-9-5-2-6-10-15)21(29)26-18(22(30)31)13-19(24)27/h1-10,16-18H,11-13,23H2,(H2,24,27)(H,25,28)(H,26,29)(H,30,31)/t16-,17+,18-/m1/s1 |
| SMILES | NC(=O)C[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H26N4O5/c23-16(11-14-7-3-1-4-8-14)20(28)25-17(12-15-9-5-2-6-10-15)21(29)26-18(22(30)31)13-19(24)27/h1-10,16-18H,11-13,23H2,(H2,24,27)(H,25,28)(H,26,29)(H,30,31)/t16-,17+,18-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:14]([CH2:11][C@H:16]([C:20](=[N:25][C@@H:17]([CH2:12][C:15]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)[C:21](=[N:26][C@H:18]([CH2:13][C:19](=[NH:24])[OH:27])[C:22](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:23])[CH:8]=[CH:4]1 |
|