| Properties | Image |
|---|
| MNX_ID | MNXM1122553 |
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| reference | chebi:159947 |
| formula | C14H27N5O6 |
| global charge | 0 |
| mol weight | 361.399 |
| InChIKey | AYOAHKWVQLNPDM-HJGDQZAQSA-N |
| InChI | InChI=1S/C14H27N5O6/c1-7(20)11(14(24)25)19-13(23)9(4-2-3-5-15)18-12(22)8(16)6-10(17)21/h7-9,11,20H,2-6,15-16H2,1H3,(H2,17,21)(H,18,22)(H,19,23)(H,24,25)/t7-,8+,9+,11+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H27N5O6/c1-7(20)11(14(24)25)19-13(23)9(4-2-3-5-15)18-12(22)8(16)6-10(17)21/h7-9,11,20H,2-6,15-16H2,1H3,(H2,17,21)(H,18,22)(H,19,23)(H,24,25)/t7-,8+,9+,11+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:7]([C@@H:11]([C:14](=[O:24])[OH:25])[N:19]=[C:13]([C@H:9]([CH2:4][CH2:2][CH2:3][CH2:5][NH2:15])[N:18]=[C:12]([C@H:8]([CH2:6][C:10](=[NH:17])[OH:21])[NH2:16])[OH:22])[OH:23])[OH:20] |
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