| Properties | Image |
|---|
| MNX_ID | MNXM1127209 |
 |
| reference | chebi:164628 |
| formula | C27H30N6O5 |
| global charge | 0 |
| mol weight | 518.574 |
| InChIKey | LJCLHMPCYYXVPR-VJBMBRPKSA-N |
| InChI | InChI=1S/C27H30N6O5/c28-19(11-15-13-30-20-7-3-1-5-17(15)20)25(35)32-22(9-10-24(29)34)26(36)33-23(27(37)38)12-16-14-31-21-8-4-2-6-18(16)21/h1-8,13-14,19,22-23,30-31H,9-12,28H2,(H2,29,34)(H,32,35)(H,33,36)(H,37,38)/t19-,22-,23-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C27H30N6O5/c28-19(11-15-13-30-20-7-3-1-5-17(15)20)25(35)32-22(9-10-24(29)34)26(36)33-23(27(37)38)12-16-14-31-21-8-4-2-6-18(16)21/h1-8,13-14,19,22-23,30-31H,9-12,28H2,(H2,29,34)(H,32,35)(H,33,36)(H,37,38)/t19-,22-,23-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:20]2[C:17](=[CH:5]1)[C:15]([CH2:11][C@@H:19]([C:25](=[N:32][C@@H:22]([CH2:9][CH2:10][C:24](=[NH:29])[OH:34])[C:26](=[N:33][C@@H:23]([CH2:12][C:16]1=[CH:14][NH:31][C:21]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:18]13)[C:27](=[O:37])[OH:38])[OH:36])[OH:35])[NH2:28])=[CH:13][NH:30]2 |
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