| Properties | Image |
| MNX_ID | MNXM1124085 |
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| reference | chebi:161487 |
| formula | C18H27N3O4S |
| global charge | 0 |
| mol weight | 381.498 |
| InChIKey | KCPOQGRVVXYLAC-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H27N3O4S/c1-11(2)8-14(20-16(22)13(19)10-26)17(23)21-15(18(24)25)9-12-6-4-3-5-7-12/h3-7,11,13-15,26H,8-10,19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H27N3O4S/c1-11(2)8-14(20-16(22)13(19)10-26)17(23)21-15(18(24)25)9-12-6-4-3-5-7-12/h3-7,11,13-15,26H,8-10,19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:8][C@@H:14]([C:17](=[N:21][C@@H:15]([CH2:9][C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:18](=[O:24])[OH:25])[OH:23])[N:20]=[C:16]([C@H:13]([CH2:10][SH:26])[NH2:19])[OH:22] |
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