| Properties | Image |
|---|
| MNX_ID | MNXM744618 |
 |
| reference | biggM:argalaphe |
| formula | C18H29N6O4 |
| global charge | 1 |
| mol weight | 393.468 |
| InChIKey | SBVJJNJLFWSJOV-IACUBPJLSA-O |
| InChI | InChI=1S/C18H28N6O4/c1-11(23-16(26)13(19)8-5-9-22-18(20)21)15(25)24-14(17(27)28)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,19H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/p+1/t11-,13+,14+/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N6O4/c1-11(23-16(26)13(19)8-5-9-22-18(20)21)15(25)24-14(17(27)28)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,19H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/t11-,13+,14+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:15](=[N:24][C@H:14]([CH2:10][C:12]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[C:17](=[O:27])[OH:28])[OH:25])[N:23]=[C:16]([C@@H:13]([CH2:8][CH2:5][CH2:9][NH:22][C:18](=[NH:20])[NH2:21])[NH2:19])[OH:26] |
|