| Properties | Image |
|---|
| MNX_ID | MNXM1125296 |
 |
| reference | chebi:162707 |
| formula | C21H27N5O5 |
| global charge | 0 |
| mol weight | 429.477 |
| InChIKey | GNFHQWNCSSPOBT-ULQDDVLXSA-N |
| InChI | InChI=1S/C21H27N5O5/c22-18(27)8-7-16(21(30)31)25-20(29)17(26-19(28)15-6-3-9-23-15)10-12-11-24-14-5-2-1-4-13(12)14/h1-2,4-5,11,15-17,23-24H,3,6-10H2,(H2,22,27)(H,25,29)(H,26,28)(H,30,31)/t15-,16-,17-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H27N5O5/c22-18(27)8-7-16(21(30)31)25-20(29)17(26-19(28)15-6-3-9-23-15)10-12-11-24-14-5-2-1-4-13(12)14/h1-2,4-5,11,15-17,23-24H,3,6-10H2,(H2,22,27)(H,25,29)(H,26,28)(H,30,31)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:14]2[C:13](=[CH:4]1)[C:12]([CH2:10][C@@H:17]([C:20](=[N:25][C@@H:16]([CH2:7][CH2:8][C:18](=[NH:22])[OH:27])[C:21](=[O:30])[OH:31])[OH:29])[N:26]=[C:19]([C@@H:15]1[CH2:6][CH2:3][CH2:9][NH:23]1)[OH:28])=[CH:11][NH:24]2 |
|