(4S)-4-Cyclohexyl-1-[[hydroxy(4-phenylbutyl)phosphinyl]acetyl]-L-Proline Phenylmethyl Ester - CAS 474382-58-6

Catalog:	BB068948
Product Name:	(4S)-4-Cyclohexyl-1-[[hydroxy(4-phenylbutyl)phosphinyl]acetyl]-L-Proline Phenylmethyl Ester
CAS:	474382-58-6
Synonyms:	(2-((2S,4S)-2-((Benzyloxy)carbonyl)-4-cyclohexylpyrrolidin-1-yl)-2-oxoethyl)(4-phenylbutyl)phosphinic Acid

Technical Data

IUPAC Name:	[2-[(2S,4S)-4-cyclohexyl-2-phenylmethoxycarbonylpyrrolidin-1-yl]-2-oxoethyl]-(4-phenylbutyl)phosphinic acid
Description:	(4S)-4-Cyclohexyl-1-[[hydroxy(4-phenylbutyl)phosphinyl]acetyl]-L-Proline Phenylmethyl Ester is used as a reactant in the synthesis of Fosinopril Sodium Salt (F727800), a phosphinic acid containing angiotensin converting enzyme (ACE) inhibitor. Antihypertensive.
Molecular Weight:	525.62
Molecular Formula:	C30H40NO5P
Canonical SMILES:	C1CCC(CC1)C2CC(N(C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4
InChI:	InChI=1S/C30H40NO5P/c32-29(23-37(34,35)19-11-10-14-24-12-4-1-5-13-24)31-21-27(26-17-8-3-9-18-26)20-28(31)30(33)36-22-25-15-6-2-7-16-25/h1-2,4-7,12-13,15-16,26-28H,3,8-11,14,17-23H2,(H,34,35)/t27-,28+/m1/s1
InChI Key:	FMIZVLGCNHEEJX-IZLXSDGUSA-N
References:	Singhvi, S.M., et al. Br. J. Clin. Pharmacol., 25, 9 (1988), Sullivan, P.A., et al. Am. J. Hypertension, 1, 280S (1988),.

Complexity:	770
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	525.26441037
Formal Charge:	0
Heavy Atom Count:	37
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	525.26441037
Rotatable Bond Count:	12
Topological Polar Surface Area:	83.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7