| Properties | Image |
|---|
| MNX_ID | MNXM744862 |
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| reference | biggM:protrplys |
| formula | C22H32N5O4 |
| global charge | 1 |
| mol weight | 430.529 |
| InChIKey | FYXCBXDAMPEHIQ-CPSIJMPNSA-O |
| InChI | InChI=1S/C22H31N5O4/c23-10-4-3-8-18(22(30)31)26-21(29)19(27-20(28)17-9-5-11-24-17)12-14-13-25-16-7-2-1-6-15(14)16/h1-2,6-7,13,17-19,24-25H,3-5,8-12,23H2,(H,26,29)(H,27,28)(H,30,31)/p+1/t17?,18-,19+/m1/s1 |
| SMILES | [NH3+]CCCC[C@@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)C1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H31N5O4/c23-10-4-3-8-18(22(30)31)26-21(29)19(27-20(28)17-9-5-11-24-17)12-14-13-25-16-7-2-1-6-15(14)16/h1-2,6-7,13,17-19,24-25H,3-5,8-12,23H2,(H,26,29)(H,27,28)(H,30,31)/t17?,18-,19+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:16]2[C:15](=[CH:6]1)[C:14]([CH2:12][C@@H:19]([C:21](=[N:26][C@H:18]([CH2:8][CH2:3][CH2:4][CH2:10][NH2:23])[C:22](=[O:30])[OH:31])[OH:29])[N:27]=[C:20]([CH:17]1[CH2:9][CH2:5][CH2:11][NH:24]1)[OH:28])=[CH:13][NH:25]2 |
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