| Properties | Image |
|---|
| MNX_ID | MNXM744831 |
 |
| reference | biggM:pheasnmet |
| formula | C18H26N4O5S |
| global charge | 0 |
| mol weight | 410.496 |
| InChIKey | LNIIRLODKOWQIY-MCIONIFRSA-N |
| InChI | InChI=1S/C18H26N4O5S/c1-28-8-7-13(18(26)27)21-17(25)14(10-15(20)23)22-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/t12-,13-,14+/m1/s1 |
| SMILES | CSCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H26N4O5S/c1-28-8-7-13(18(26)27)21-17(25)14(10-15(20)23)22-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/t12-,13-,14+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][S:28][CH2:8][CH2:7][C@H:13]([C:18](=[O:26])[OH:27])[N:21]=[C:17]([C@H:14]([CH2:10][C:15](=[NH:20])[OH:23])[N:22]=[C:16]([C@@H:12]([CH2:9][C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[NH2:19])[OH:24])[OH:25] |
|