| Properties | Image |
|---|
| MNX_ID | MNXM1124719 |
 |
| reference | chebi:162124 |
| formula | C18H24N4O5 |
| global charge | 0 |
| mol weight | 376.413 |
| InChIKey | VOHFZDSRPZLXLH-IHRRRGAJSA-N |
| InChI | InChI=1S/C18H24N4O5/c19-15(23)10-13(21-16(24)12-7-4-8-20-12)17(25)22-14(18(26)27)9-11-5-2-1-3-6-11/h1-3,5-6,12-14,20H,4,7-10H2,(H2,19,23)(H,21,24)(H,22,25)(H,26,27)/t12-,13-,14-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N4O5/c19-15(23)10-13(21-16(24)12-7-4-8-20-12)17(25)22-14(18(26)27)9-11-5-2-1-3-6-11/h1-3,5-6,12-14,20H,4,7-10H2,(H2,19,23)(H,21,24)(H,22,25)(H,26,27)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:11]([CH2:9][C@@H:14]([C:18](=[O:26])[OH:27])[N:22]=[C:17]([C@H:13]([CH2:10][C:15](=[NH:19])[OH:23])[N:21]=[C:16]([C@@H:12]2[CH2:7][CH2:4][CH2:8][NH:20]2)[OH:24])[OH:25])[CH:6]=[CH:3]1 |
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