| Properties | Image |
| MNX_ID | MNXM1122439 |
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| reference | chebi:159832 |
| formula | C14H27N5O5S |
| global charge | 0 |
| mol weight | 377.467 |
| InChIKey | MLLKLNYPZRDIQG-GUBZILKMSA-N |
| InChI | InChI=1S/C14H27N5O5S/c15-6-2-1-3-8(16)12(21)19-10(7-25)13(22)18-9(14(23)24)4-5-11(17)20/h8-10,25H,1-7,15-16H2,(H2,17,20)(H,18,22)(H,19,21)(H,23,24)/t8-,9-,10-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H27N5O5S/c15-6-2-1-3-8(16)12(21)19-10(7-25)13(22)18-9(14(23)24)4-5-11(17)20/h8-10,25H,1-7,15-16H2,(H2,17,20)(H,18,22)(H,19,21)(H,23,24)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:15])[CH2:3][C@@H:8]([C:12](=[N:19][C@@H:10]([CH2:7][SH:25])[C:13](=[N:18][C@@H:9]([CH2:4][CH2:5][C:11](=[NH:17])[OH:20])[C:14](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:16] |
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