| Properties | Image |
|---|
| MNX_ID | MNXM744910 |
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| reference | biggM:thrglntyr |
| formula | C18H26N4O7 |
| global charge | 0 |
| mol weight | 410.427 |
| InChIKey | RCEHMXVEMNXRIW-MSELDCQNSA-N |
| InChI | InChI=1S/C18H26N4O7/c1-9(23)15(20)17(27)21-12(6-7-14(19)25)16(26)22-13(18(28)29)8-10-2-4-11(24)5-3-10/h2-5,9,12-13,15,23-24H,6-8,20H2,1H3,(H2,19,25)(H,21,27)(H,22,26)(H,28,29)/t9-,12+,13-,15-/m1/s1 |
| SMILES | C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H26N4O7/c1-9(23)15(20)17(27)21-12(6-7-14(19)25)16(26)22-13(18(28)29)8-10-2-4-11(24)5-3-10/h2-5,9,12-13,15,23-24H,6-8,20H2,1H3,(H2,19,25)(H,21,27)(H,22,26)(H,28,29)/t9-,12+,13-,15-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C@H:15]([C:17](=[N:21][C@@H:12]([CH2:6][CH2:7][C:14](=[NH:19])[OH:25])[C:16](=[N:22][C@H:13]([CH2:8][C:10]1=[CH:3][CH:5]=[C:11]([OH:24])[CH:4]=[CH:2]1)[C:18](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:20])[OH:23] |
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