| Properties | Image |
|---|
| MNX_ID | MNXM1123415 |
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| reference | chebi:160816 |
| formula | C16H30N4O5S |
| global charge | 0 |
| mol weight | 390.506 |
| InChIKey | RVYDCISQIGHAFC-ZPFDUUQYSA-N |
| InChI | InChI=1S/C16H30N4O5S/c1-4-9(2)13(20-14(22)10(17)7-8-26-3)15(23)19-11(16(24)25)5-6-12(18)21/h9-11,13H,4-8,17H2,1-3H3,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,11-,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N4O5S/c1-4-9(2)13(20-14(22)10(17)7-8-26-3)15(23)19-11(16(24)25)5-6-12(18)21/h9-11,13H,4-8,17H2,1-3H3,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,11-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:9]([CH3:2])[C@@H:13]([C:15](=[N:19][C@@H:11]([CH2:5][CH2:6][C:12](=[NH:18])[OH:21])[C:16](=[O:24])[OH:25])[OH:23])[N:20]=[C:14]([C@H:10]([CH2:7][CH2:8][S:26][CH3:3])[NH2:17])[OH:22] |
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