| Properties | Image |
|---|
| MNX_ID | MNXM1124273 |
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| reference | chebi:161676 |
| formula | C19H29N5O5 |
| global charge | 0 |
| mol weight | 407.471 |
| InChIKey | RMKGXGPQIPLTFC-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H29N5O5/c20-9-5-4-8-14(18(27)24-15(19(28)29)11-16(22)25)23-17(26)13(21)10-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,26)(H,24,27)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N5O5/c20-9-5-4-8-14(18(27)24-15(19(28)29)11-16(22)25)23-17(26)13(21)10-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,26)(H,24,27)(H,28,29)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:12]([CH2:10][C@@H:13]([C:17](=[N:23][C@@H:14]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:20])[C:18](=[N:24][C@@H:15]([CH2:11][C:16](=[NH:22])[OH:25])[C:19](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:21])[CH:7]=[CH:3]1 |
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