| Properties | Image |
|---|
| MNX_ID | MNXM744799 |
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| reference | biggM:metphearg |
| formula | C20H33N6O4S |
| global charge | 1 |
| mol weight | 453.589 |
| InChIKey | LNXGEYIEEUZGGH-OAGGEKHMSA-O |
| InChI | InChI=1S/C20H32N6O4S/c1-31-11-9-14(21)17(27)26-16(12-13-6-3-2-4-7-13)18(28)25-15(19(29)30)8-5-10-24-20(22)23/h2-4,6-7,14-16H,5,8-12,21H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/p+1/t14-,15-,16+/m1/s1 |
| SMILES | CSCC[C@@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N6O4S/c1-31-11-9-14(21)17(27)26-16(12-13-6-3-2-4-7-13)18(28)25-15(19(29)30)8-5-10-24-20(22)23/h2-4,6-7,14-16H,5,8-12,21H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t14-,15-,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][S:31][CH2:11][CH2:9][C@H:14]([C:17](=[N:26][C@@H:16]([CH2:12][C:13]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[C:18](=[N:25][C@H:15]([CH2:8][CH2:5][CH2:10][NH:24][C:20](=[NH:22])[NH2:23])[C:19](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:21] |
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