| Properties | Image |
| MNX_ID | MNXM1123742 |
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| reference | chebi:161144 |
| formula | C14H28N6O4S |
| global charge | 0 |
| mol weight | 376.483 |
| InChIKey | XGIAHEUULGOZHH-GUBZILKMSA-N |
| InChI | InChI=1S/C14H28N6O4S/c1-7(2)10(13(23)24)20-12(22)9(4-3-5-18-14(16)17)19-11(21)8(15)6-25/h7-10,25H,3-6,15H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H4,16,17,18)/t8-,9-,10-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H28N6O4S/c1-7(2)10(13(23)24)20-12(22)9(4-3-5-18-14(16)17)19-11(21)8(15)6-25/h7-10,25H,3-6,15H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H4,16,17,18)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[C@@H:10]([C:13](=[O:23])[OH:24])[N:20]=[C:12]([C@H:9]([CH2:4][CH2:3][CH2:5][NH:18][C:14](=[NH:16])[NH2:17])[N:19]=[C:11]([C@H:8]([CH2:6][SH:25])[NH2:15])[OH:21])[OH:22] |
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