| Properties | Image |
|---|
| MNX_ID | MNXM744846 |
 |
| reference | biggM:phetyrgln |
| formula | C23H28N4O6 |
| global charge | 0 |
| mol weight | 456.499 |
| InChIKey | QUUCAHIYARMNBL-QRVBRYPASA-N |
| InChI | InChI=1S/C23H28N4O6/c24-17(12-14-4-2-1-3-5-14)21(30)27-19(13-15-6-8-16(28)9-7-15)22(31)26-18(23(32)33)10-11-20(25)29/h1-9,17-19,28H,10-13,24H2,(H2,25,29)(H,26,31)(H,27,30)(H,32,33)/t17-,18-,19+/m1/s1 |
| SMILES | NC(=O)CC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H28N4O6/c24-17(12-14-4-2-1-3-5-14)21(30)27-19(13-15-6-8-16(28)9-7-15)22(31)26-18(23(32)33)10-11-20(25)29/h1-9,17-19,28H,10-13,24H2,(H2,25,29)(H,26,31)(H,27,30)(H,32,33)/t17-,18-,19+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:14]([CH2:12][C@H:17]([C:21](=[N:27][C@@H:19]([CH2:13][C:15]2=[CH:7][CH:9]=[C:16]([OH:28])[CH:8]=[CH:6]2)[C:22](=[N:26][C@H:18]([CH2:10][CH2:11][C:20](=[NH:25])[OH:29])[C:23](=[O:32])[OH:33])[OH:31])[OH:30])[NH2:24])[CH:5]=[CH:3]1 |
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