| Properties | Image |
|---|
| MNX_ID | MNXM744842 |
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| reference | biggM:phesertrp |
| formula | C23H26N4O5 |
| global charge | 0 |
| mol weight | 438.484 |
| InChIKey | MRWOVVNKSXXLRP-RLLQIKCJSA-N |
| InChI | InChI=1S/C23H26N4O5/c24-17(10-14-6-2-1-3-7-14)21(29)27-20(13-28)22(30)26-19(23(31)32)11-15-12-25-18-9-5-4-8-16(15)18/h1-9,12,17,19-20,25,28H,10-11,13,24H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20+/m1/s1 |
| SMILES | N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H26N4O5/c24-17(10-14-6-2-1-3-7-14)21(29)27-20(13-28)22(30)26-19(23(31)32)11-15-12-25-18-9-5-4-8-16(15)18/h1-9,12,17,19-20,25,28H,10-11,13,24H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:14]([CH2:10][C@H:17]([C:21](=[N:27][C@@H:20]([CH2:13][OH:28])[C:22](=[N:26][C@H:19]([CH2:11][C:15]2=[CH:12][NH:25][C:18]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:16]23)[C:23](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:24])[CH:7]=[CH:3]1 |
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