0YS
(5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline
Find entries where: 0YS
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline |
| Synonyms | (-)-kaitocephalin |
| Identifiers | (2R,5R)-2-[(1S,2R)-2-azanyl-1,3-bis(oxidanyl)-3-oxidanylidene-propyl]-5-[(2S)-2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]pyrrolidine-2-carboxylic acid |
| Formula | C18 H21 Cl2 N3 O9 |
| Molecular Weight | 494.28 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1 |
| InChIKey | AJQRDRIPQOAJCM-BWOKQULHSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 53 |
| Chiral Atom Count | 5 |
| Bond Count | 54 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 11329395 |
