| Properties | Image |
|---|
| MNX_ID | MNXM744907 |
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| reference | biggM:thrargtyr |
| formula | C19H31N6O6 |
| global charge | 1 |
| mol weight | 439.493 |
| InChIKey | UNURFMVMXLENAZ-AQNFWKISSA-O |
| InChI | InChI=1S/C19H30N6O6/c1-10(26)15(20)17(29)24-13(3-2-8-23-19(21)22)16(28)25-14(18(30)31)9-11-4-6-12(27)7-5-11/h4-7,10,13-15,26-27H,2-3,8-9,20H2,1H3,(H,24,29)(H,25,28)(H,30,31)(H4,21,22,23)/p+1/t10-,13+,14-,15-/m1/s1 |
| SMILES | C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H30N6O6/c1-10(26)15(20)17(29)24-13(3-2-8-23-19(21)22)16(28)25-14(18(30)31)9-11-4-6-12(27)7-5-11/h4-7,10,13-15,26-27H,2-3,8-9,20H2,1H3,(H,24,29)(H,25,28)(H,30,31)(H4,21,22,23)/t10-,13+,14-,15-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:10]([C@H:15]([C:17](=[N:24][C@@H:13]([CH2:3][CH2:2][CH2:8][NH:23][C:19](=[NH:21])[NH2:22])[C:16](=[N:25][C@H:14]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:27])[CH:6]=[CH:4]1)[C:18](=[O:30])[OH:31])[OH:28])[OH:29])[NH2:20])[OH:26] |
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