| Properties | Image |
|---|
| MNX_ID | MNXM744912 |
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| reference | biggM:thrilearg |
| formula | C16H33N6O5 |
| global charge | 1 |
| mol weight | 389.477 |
| InChIKey | WPAKPLPGQNUXGN-MTAIEDJOSA-O |
| InChI | InChI=1S/C16H32N6O5/c1-4-8(2)12(22-13(24)11(17)9(3)23)14(25)21-10(15(26)27)6-5-7-20-16(18)19/h8-12,23H,4-7,17H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)(H4,18,19,20)/p+1/t8?,9-,10-,11-,12+/m1/s1 |
| SMILES | CCC(C)[C@H](NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H32N6O5/c1-4-8(2)12(22-13(24)11(17)9(3)23)14(25)21-10(15(26)27)6-5-7-20-16(18)19/h8-12,23H,4-7,17H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)(H4,18,19,20)/t8?,9-,10-,11-,12+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH:8]([CH3:2])[C@@H:12]([C:14](=[N:21][C@H:10]([CH2:6][CH2:5][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[C:15](=[O:26])[OH:27])[OH:25])[N:22]=[C:13]([C@@H:11]([C@@H:9]([CH3:3])[OH:23])[NH2:17])[OH:24] |
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