| Properties | Image |
|---|
| MNX_ID | MNXM744882 |
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| reference | biggM:serphelys |
| formula | C18H29N4O5 |
| global charge | 1 |
| mol weight | 381.453 |
| InChIKey | XVWDJUROVRQKAE-KFWWJZLASA-O |
| InChI | InChI=1S/C18H28N4O5/c19-9-5-4-8-14(18(26)27)21-17(25)15(22-16(24)13(20)11-23)10-12-6-2-1-3-7-12/h1-3,6-7,13-15,23H,4-5,8-11,19-20H2,(H,21,25)(H,22,24)(H,26,27)/p+1/t13-,14-,15+/m1/s1 |
| SMILES | N[C@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N4O5/c19-9-5-4-8-14(18(26)27)21-17(25)15(22-16(24)13(20)11-23)10-12-6-2-1-3-7-12/h1-3,6-7,13-15,23H,4-5,8-11,19-20H2,(H,21,25)(H,22,24)(H,26,27)/t13-,14-,15+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:12]([CH2:10][C@@H:15]([C:17](=[N:21][C@H:14]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:19])[C:18](=[O:26])[OH:27])[OH:25])[N:22]=[C:16]([C@@H:13]([CH2:11][OH:23])[NH2:20])[OH:24])[CH:7]=[CH:3]1 |
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