| Properties | Image |
|---|
| MNX_ID | MNXM1120938 |
 |
| reference | chebi:158324 |
| formula | C18H27N3O5S |
| global charge | 0 |
| mol weight | 397.497 |
| InChIKey | VCYVLFAWCJRXFT-HJPIBITLSA-N |
| InChI | InChI=1S/C18H27N3O5S/c1-3-10(2)15(19)17(24)21-14(9-27)16(23)20-13(18(25)26)8-11-4-6-12(22)7-5-11/h4-7,10,13-15,22,27H,3,8-9,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t10-,13-,14-,15-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H27N3O5S/c1-3-10(2)15(19)17(24)21-14(9-27)16(23)20-13(18(25)26)8-11-4-6-12(22)7-5-11/h4-7,10,13-15,22,27H,3,8-9,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t10-,13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:10]([CH3:2])[C@@H:15]([C:17](=[N:21][C@@H:14]([CH2:9][SH:27])[C:16](=[N:20][C@@H:13]([CH2:8][C:11]1=[CH:5][CH:7]=[C:12]([OH:22])[CH:6]=[CH:4]1)[C:18](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:19] |
|