| Properties | Image |
|---|
| MNX_ID | MNXM1121273 |
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| reference | chebi:158660 |
| formula | C20H30N4O5 |
| global charge | 0 |
| mol weight | 406.483 |
| InChIKey | VOCZPDONPURUHV-QEWYBTABSA-N |
| InChI | InChI=1S/C20H30N4O5/c1-3-12(2)17(22)19(27)24-15(11-13-7-5-4-6-8-13)18(26)23-14(20(28)29)9-10-16(21)25/h4-8,12,14-15,17H,3,9-11,22H2,1-2H3,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t12-,14-,15-,17-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N4O5/c1-3-12(2)17(22)19(27)24-15(11-13-7-5-4-6-8-13)18(26)23-14(20(28)29)9-10-16(21)25/h4-8,12,14-15,17H,3,9-11,22H2,1-2H3,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t12-,14-,15-,17-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:12]([CH3:2])[C@@H:17]([C:19](=[N:24][C@@H:15]([CH2:11][C:13]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[C:18](=[N:23][C@@H:14]([CH2:9][CH2:10][C:16](=[NH:21])[OH:25])[C:20](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:22] |
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