| Properties | Image |
|---|
| MNX_ID | MNXM1122970 |
 |
| reference | chebi:160368 |
| formula | C28H34N6O4 |
| global charge | 0 |
| mol weight | 518.618 |
| InChIKey | OPJRECCCQSDDCZ-TUSQITKMSA-N |
| InChI | InChI=1S/C28H34N6O4/c29-12-6-5-9-21(30)26(35)33-24(13-17-15-31-22-10-3-1-7-19(17)22)27(36)34-25(28(37)38)14-18-16-32-23-11-4-2-8-20(18)23/h1-4,7-8,10-11,15-16,21,24-25,31-32H,5-6,9,12-14,29-30H2,(H,33,35)(H,34,36)(H,37,38)/t21-,24-,25-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H34N6O4/c29-12-6-5-9-21(30)26(35)33-24(13-17-15-31-22-10-3-1-7-19(17)22)27(36)34-25(28(37)38)14-18-16-32-23-11-4-2-8-20(18)23/h1-4,7-8,10-11,15-16,21,24-25,31-32H,5-6,9,12-14,29-30H2,(H,33,35)(H,34,36)(H,37,38)/t21-,24-,25-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:10]=[C:22]2[C:19](=[CH:7]1)[C:17]([CH2:13][C@@H:24]([C:27](=[N:34][C@@H:25]([CH2:14][C:18]1=[CH:16][NH:32][C:23]3=[CH:11][CH:4]=[CH:2][CH:8]=[C:20]13)[C:28](=[O:37])[OH:38])[OH:36])[N:33]=[C:26]([C@H:21]([CH2:9][CH2:5][CH2:6][CH2:12][NH2:29])[NH2:30])[OH:35])=[CH:15][NH:31]2 |
|