| Properties | Image |
| MNX_ID | MNXM1122622 |
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| reference | chebi:160016 |
| formula | C19H28N4O5 |
| global charge | 0 |
| mol weight | 392.456 |
| InChIKey | HZZIFFOVHLWGCS-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H28N4O5/c1-11(2)8-15(19(27)28)23-18(26)14(9-12-6-4-3-5-7-12)22-17(25)13(20)10-16(21)24/h3-7,11,13-15H,8-10,20H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26)(H,27,28)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H28N4O5/c1-11(2)8-15(19(27)28)23-18(26)14(9-12-6-4-3-5-7-12)22-17(25)13(20)10-16(21)24/h3-7,11,13-15H,8-10,20H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26)(H,27,28)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:8][C@@H:15]([C:19](=[O:27])[OH:28])[N:23]=[C:18]([C@H:14]([CH2:9][C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[N:22]=[C:17]([C@H:13]([CH2:10][C:16](=[NH:21])[OH:24])[NH2:20])[OH:25])[OH:26] |
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