| Properties | Image |
|---|
| MNX_ID | MNXM744644 |
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| reference | biggM:asntyrphe |
| formula | C22H26N4O6 |
| global charge | 0 |
| mol weight | 442.472 |
| InChIKey | QUCCLIXMVPIVOB-FGTMMUONSA-N |
| InChI | InChI=1S/C22H26N4O6/c23-16(12-19(24)28)20(29)25-17(10-14-6-8-15(27)9-7-14)21(30)26-18(22(31)32)11-13-4-2-1-3-5-13/h1-9,16-18,27H,10-12,23H2,(H2,24,28)(H,25,29)(H,26,30)(H,31,32)/t16-,17+,18-/m1/s1 |
| SMILES | NC(=O)C[C@@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H26N4O6/c23-16(12-19(24)28)20(29)25-17(10-14-6-8-15(27)9-7-14)21(30)26-18(22(31)32)11-13-4-2-1-3-5-13/h1-9,16-18,27H,10-12,23H2,(H2,24,28)(H,25,29)(H,26,30)(H,31,32)/t16-,17+,18-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]([CH2:11][C@H:18]([C:22](=[O:31])[OH:32])[N:26]=[C:21]([C@H:17]([CH2:10][C:14]2=[CH:7][CH:9]=[C:15]([OH:27])[CH:8]=[CH:6]2)[N:25]=[C:20]([C@@H:16]([CH2:12][C:19](=[NH:24])[OH:28])[NH2:23])[OH:29])[OH:30])[CH:5]=[CH:3]1 |
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