| Properties | Image |
|---|
| MNX_ID | MNXM744619 |
 |
| reference | biggM:argalathr |
| formula | C13H27N6O5 |
| global charge | 1 |
| mol weight | 347.396 |
| InChIKey | OTOXOKCIIQLMFH-KKVHJZIVSA-O |
| InChI | InChI=1S/C13H26N6O5/c1-6(10(21)19-9(7(2)20)12(23)24)18-11(22)8(14)4-3-5-17-13(15)16/h6-9,20H,3-5,14H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17)/p+1/t6-,7?,8+,9+/m0/s1 |
| SMILES | CC(O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H26N6O5/c1-6(10(21)19-9(7(2)20)12(23)24)18-11(22)8(14)4-3-5-17-13(15)16/h6-9,20H,3-5,14H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17)/t6-,7?,8+,9+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:6]([C:10](=[N:19][C@H:9]([CH:7]([CH3:2])[OH:20])[C:12](=[O:23])[OH:24])[OH:21])[N:18]=[C:11]([C@@H:8]([CH2:4][CH2:3][CH2:5][NH:17][C:13](=[NH:15])[NH2:16])[NH2:14])[OH:22] |
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