RXP

1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
Identifiers	[(2S)-2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]carbamoyl]-5-phenyl-pentyl]-[(1S)-2-phenyl-1-phenylmethoxycarbonylamino-ethyl]phosphinic acid
Formula	C₃₉ H₄₃ N₄ O₆ P
Molecular Weight	694.756
Type	NON-POLYMER
Isomeric SMILES	c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N
InChI	InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1
InChIKey	YQEMFOGNUTYMTJ-JNBVYXHXSA-N

Chemical Details
Formal Charge	0
Atom Count	93
Chiral Atom Count	4
Bond Count	97
Aromatic Bond Count	28

Drug Info: DrugBank

DrugBank ID	DB04318
Name	Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide
Groups	experimental
Synonyms	Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Stromelysin-3	MAPAAWLRSAAARALLPPMLLLLLQPPPLLARALPPDAHHLHAERRGPQP...	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