| Properties | Image |
|---|
| MNX_ID | MNXM744635 |
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| reference | biggM:argtyrval |
| formula | C20H33N6O5 |
| global charge | 1 |
| mol weight | 437.521 |
| InChIKey | XMZZGVGKGXRIGJ-OWCLPIDISA-O |
| InChI | InChI=1S/C20H32N6O5/c1-11(2)16(19(30)31)26-18(29)15(10-12-5-7-13(27)8-6-12)25-17(28)14(21)4-3-9-24-20(22)23/h5-8,11,14-16,27H,3-4,9-10,21H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)(H4,22,23,24)/p+1/t14-,15+,16-/m1/s1 |
| SMILES | CC(C)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N6O5/c1-11(2)16(19(30)31)26-18(29)15(10-12-5-7-13(27)8-6-12)25-17(28)14(21)4-3-9-24-20(22)23/h5-8,11,14-16,27H,3-4,9-10,21H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)(H4,22,23,24)/t14-,15+,16-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[C@H:16]([C:19](=[O:30])[OH:31])[N:26]=[C:18]([C@H:15]([CH2:10][C:12]1=[CH:6][CH:8]=[C:13]([OH:27])[CH:7]=[CH:5]1)[N:25]=[C:17]([C@@H:14]([CH2:4][CH2:3][CH2:9][NH:24][C:20](=[NH:22])[NH2:23])[NH2:21])[OH:28])[OH:29] |
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