| Properties | Image |
| MNX_ID | MNXM1124691 |
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| reference | chebi:162096 |
| formula | C16H30N6O4 |
| global charge | 0 |
| mol weight | 370.454 |
| InChIKey | ORPZXBQTEHINPB-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H30N6O4/c1-9(2)12(15(25)26)22-14(24)11(6-4-8-20-16(17)18)21-13(23)10-5-3-7-19-10/h9-12,19H,3-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H4,17,18,20)/t10-,11-,12-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N6O4/c1-9(2)12(15(25)26)22-14(24)11(6-4-8-20-16(17)18)21-13(23)10-5-3-7-19-10/h9-12,19H,3-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H4,17,18,20)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:12]([C:15](=[O:25])[OH:26])[N:22]=[C:14]([C@H:11]([CH2:6][CH2:4][CH2:8][NH:20][C:16](=[NH:17])[NH2:18])[N:21]=[C:13]([C@@H:10]1[CH2:5][CH2:3][CH2:7][NH:19]1)[OH:23])[OH:24] |
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