| Properties | Image |
|---|
| MNX_ID | MNXM1127623 |
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| reference | chebi:165050 |
| formula | C23H28N4O7 |
| global charge | 0 |
| mol weight | 472.498 |
| InChIKey | FJKXUIJOMUWCDD-FHWLQOOXSA-N |
| InChI | InChI=1S/C23H28N4O7/c24-17(11-13-1-5-15(28)6-2-13)21(31)26-18(9-10-20(25)30)22(32)27-19(23(33)34)12-14-3-7-16(29)8-4-14/h1-8,17-19,28-29H,9-12,24H2,(H2,25,30)(H,26,31)(H,27,32)(H,33,34)/t17-,18-,19-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H28N4O7/c24-17(11-13-1-5-15(28)6-2-13)21(31)26-18(9-10-20(25)30)22(32)27-19(23(33)34)12-14-3-7-16(29)8-4-14/h1-8,17-19,28-29H,9-12,24H2,(H2,25,30)(H,26,31)(H,27,32)(H,33,34)/t17-,18-,19-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:5][C:15]([OH:28])=[CH:6][CH:2]=[C:13]1[CH2:11][C@@H:17]([C:21](=[N:26][C@@H:18]([CH2:9][CH2:10][C:20](=[NH:25])[OH:30])[C:22](=[N:27][C@@H:19]([CH2:12][C:14]1=[CH:4][CH:8]=[C:16]([OH:29])[CH:7]=[CH:3]1)[C:23](=[O:33])[OH:34])[OH:32])[OH:31])[NH2:24] |
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