| Properties | Image |
|---|
| MNX_ID | MNXM1122624 |
 |
| reference | chebi:160018 |
| formula | C19H29N5O5 |
| global charge | 0 |
| mol weight | 407.471 |
| InChIKey | RVHGJNGNKGDCPX-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H29N5O5/c20-9-5-4-8-14(19(28)29)23-18(27)15(10-12-6-2-1-3-7-12)24-17(26)13(21)11-16(22)25/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,27)(H,24,26)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | NCCCC[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/C19H29N5O5/c20-9-5-4-8-14(19(28)29)23-18(27)15(10-12-6-2-1-3-7-12)24-17(26)13(21)11-16(22)25/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,27)(H,24,26)(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:15]([C:18](=[N:23][C@@H:14]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:20])[C:19](=[O:28])[OH:29])[OH:27])[N:24]=[C:17]([C@H:13]([CH2:11][C:16](=[NH:22])[OH:25])[NH2:21])[OH:26])[CH:7]=[CH:3]1 |
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