| Properties | Image |
|---|
| MNX_ID | MNXM1122858 |
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| reference | chebi:160255 |
| formula | C15H28N4O5 |
| global charge | 0 |
| mol weight | 344.412 |
| InChIKey | JNCRAQVYJZGIOW-QSFUFRPTSA-N |
| InChI | InChI=1S/C15H28N4O5/c1-5-8(4)12(15(23)24)19-14(22)11(7(2)3)18-13(21)9(16)6-10(17)20/h7-9,11-12H,5-6,16H2,1-4H3,(H2,17,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,11-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H28N4O5/c1-5-8(4)12(15(23)24)19-14(22)11(7(2)3)18-13(21)9(16)6-10(17)20/h7-9,11-12H,5-6,16H2,1-4H3,(H2,17,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][C@H:8]([CH3:4])[C@@H:12]([C:15](=[O:23])[OH:24])[N:19]=[C:14]([C@H:11]([CH:7]([CH3:2])[CH3:3])[N:18]=[C:13]([C@H:9]([CH2:6][C:10](=[NH:17])[OH:20])[NH2:16])[OH:21])[OH:22] |
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