| Properties | Image |
|---|
| MNX_ID | MNXM41952 |
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| reference | chebi:60639 |
| formula | C16H19N3O5S |
| global charge | 0 |
| mol weight | 365.411 |
| InChIKey | IIZCCQJEPBWGJU-YXLKDIQASA-N |
| InChI | InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-14(25-16)10-13(22)17-9(12(21)18-10)7-3-5-8(20)6-4-7/h3-6,9-11,14,19-20H,1-2H3,(H,17,22)(H,18,21)(H,23,24)/t9?,10?,11-,14+/m0/s1 |
| SMILES | CC1(C)S[C@H](C2NC(=O)C(C3=CC=C(O)C=C3)NC2=O)N[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-14(25-16)10-13(22)17-9(12(21)18-10)7-3-5-8(20)6-4-7/h3-6,9-11,14,19-20H,1-2H3,(H,17,22)(H,18,21)(H,23,24)/t9?,10?,11-,14+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:16]1([CH3:2])[C@H:11]([C:15](=[O:23])[OH:24])[NH:19][C@@H:14]([CH:10]2[C:13]([OH:22])=[N:17][CH:9]([C:7]3=[CH:4][CH:6]=[C:8]([OH:20])[CH:5]=[CH:3]3)[C:12]([OH:21])=[N:18]2)[S:25]1 |
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