578
(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Find entries where: 578
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE |
Identifiers | (2S)-2-[3-(aminomethyl)phenyl]-2-[hydroxy-[(1R)-2-methyl-1-phenylmethoxycarbonylamino-propyl]phosphoryl]oxy-ethanoic acid |
Formula | C21 H27 N2 O7 P |
Molecular Weight | 450.422 |
Type | NON-POLYMER |
Isomeric SMILES | CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O |
InChI | InChI=1S/C21H27N2O7P/c1-14(2)19(23-21(26)29-13-15-7-4-3-5-8-15)31(27,28)30-18(20(24)25)17-10-6-9-16(11-17)12-22/h3-11,14,18-19H,12-13,22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19+/m0/s1 |
InChIKey | RTFGEFWZCFCODU-RBUKOAKNSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 58 |
Chiral Atom Count | 3 |
Bond Count | 59 |
Aromatic Bond Count | 12 |
Drug Info: DrugBank
DrugBank ID | DB07157 |
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Name | (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE |
Groups | experimental |
Synonyms | (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
Carboxypeptidase B | MLALLVLVTVALASAHHGGEHFEGEKVFRVNVEDENHINIIRELASTTQI... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 23653502 |