Chemical structure(s):
|
|
|
Canonical SMILES: | C[C@@H]1[C@@H]2[C@@H]([C@@H](C)O)C(=O)N2C(=C1S[C@H]3C[C@@H](C(=O)N(C)C)NC3)C(=O)O |
Isomeric SMILES: | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O |
InChI: | InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 |
InChI Key: | DMJNNHOOLUXYBV-PQTSNVLCSA-N |
|
Canonical SMILES: | C1=C2CCB(O)OC2=C(C(=C1)OC3CN(C3)C(=O)[C@@H](C4=CN=CN4)N)C(=O)O |
Isomeric SMILES: | B1(CCC2=C(O1)C(=C(C=C2)OC3CN(C3)C(=O)[C@@H](C4=CN=CN4)N)C(=O)O)O |
InChI: | InChI=1S/C17H19BN4O6/c19-14(11-5-20-8-21-11)16(23)22-6-10(7-22)27-12-2-1-9-3-4-18(26)28-15(9)13(12)17(24)25/h1-2,5,8,10,14,26H,3-4,6-7,19H2,(H,20,21)(H,24,25)/t14-/m1/s1 |
InChI Key: | CAHUDGVGUAJGGS-CQSZACIVSA-N |
Structure link:
|
https://pubchem.ncbi.nlm.nih.gov/compound/149866877
|
Structure link:
|
https://pubchem.ncbi.nlm.nih.gov/compound/441130
|