| Properties | Image |
|---|
| MNX_ID | MNXM1120659 |
 |
| reference | chebi:158040 |
| formula | C28H29N7O4 |
| global charge | 0 |
| mol weight | 527.585 |
| InChIKey | BNBQSLZMHBFEIV-TUSQITKMSA-N |
| InChI | InChI=1S/C28H29N7O4/c29-21(11-18-14-30-15-33-18)26(36)34-24(9-16-12-31-22-7-3-1-5-19(16)22)27(37)35-25(28(38)39)10-17-13-32-23-8-4-2-6-20(17)23/h1-8,12-15,21,24-25,31-32H,9-11,29H2,(H,30,33)(H,34,36)(H,35,37)(H,38,39)/t21-,24-,25-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)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/C28H29N7O4/c29-21(11-18-14-30-15-33-18)26(36)34-24(9-16-12-31-22-7-3-1-5-19(16)22)27(37)35-25(28(38)39)10-17-13-32-23-8-4-2-6-20(17)23/h1-8,12-15,21,24-25,31-32H,9-11,29H2,(H,30,33)(H,34,36)(H,35,37)(H,38,39)/t21-,24-,25-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:22]2[C:19](=[CH:5]1)[C:16]([CH2:9][C@@H:24]([C:27](=[N:35][C@@H:25]([CH2:10][C:17]1=[CH:13][NH:32][C:23]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:20]13)[C:28](=[O:38])[OH:39])[OH:37])[N:34]=[C:26]([C@H:21]([CH2:11][C:18]1=[CH:14][N:30]=[CH:15][NH:33]1)[NH2:29])[OH:36])=[CH:12][NH:31]2 |
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