(2S)-1-(6-amino-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}hexanoyl)pyrrolidine-2-carboxylic acid

Basic Information

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CAS Number

76547-98-3

Molecular Formula

C21H31N3O5

Molecular Weight

405.5 g/mol

EINECS

278-488-1

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

white

Melting Point

162-165 °C

Boiling Point

666.4±55.0 °C(Predicted)

Density

1.251±0.06 g/cm3(Predicted)

Flash Point

356.9 °C

Solubility

H2O: ≥10 mg/mL

Refractive Index

-45 ° (C=1, 0.25mol/L Zinc Acetate Buffer)

SMILES

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C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16?,17-,18+/m1/s1

InChIKey

RLAWWYSOJDYHDC-RWZMTBSZSA-N

LogP

1.2352000000000007

pKa

2.18±0.10(Predicted)

Topological Polar Surface Area

132.95999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

550

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

s2076
AB00052250_15
CCRIS 3568
[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE
MLS002154258
Lisopril
BSPBio_000262
PRINZIDE COMPONENT LISINOPRIL
L-Proline, 1-(N(sup 2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-, (S)-
Spectrum4_001040
(2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]hexanoyl]proline;hydrate
Prestwick3_000301
(2S)-1-[(2S)-6-amino-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}hexanoyl]pyrrolidine-2-carboxylic acid
L-PROLINE, 1-(N(SUP 2)-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSYL)-
Tensopril
7Q3P4BS2FD
AKOS015894970
Loril
Lisitec
N-[N2 -(1(S)-carboxy-3-phenylpropyl)-L-lysyl]-L-proline
(2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid;hydrate
1-(N2-(1-Carboxy-3-phenylpropyl)-L-lysyl)-L-proline
Lisipril
KBio2_000977
Lysinopril
Linvas
HY-18206
Presiten
(S)-Lisinopril Dihydrate
Listril
Lisinal

MDL Number

MFCD01698825

EC Number

278-488-1

Customs Code

2933990090

FAQ

What is (2S)-1-(6-amino-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}hexanoyl)pyrrolidine-2-carboxylic acid (CAS: 76547-98-3)?

(2S)-1-(6-amino-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}hexanoyl)pyrrolidine-2-carboxylic acid is a complex organic compound with a unique structure, characterized by its amino, carboxylic, and phenyl functional groups. It is primarily used in pharmaceutical research and development for potential drug candidates.

What are the main uses of (2S)-1-(6-amino-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}hexanoyl)pyrrolidine-2-carboxylic acid (CAS: 76547-98-3)?

This compound is mainly used in pharmaceutical research and development for screening and potential drug candidate identification. It also shows promise in other applications such as synthetic chemistry and material science.

Is (2S)-1-(6-amino-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}hexanoyl)pyrrolidine-2-carboxylic acid (CAS: 76547-98-3) safe?

This compound is not classified as toxic, but it is important to handle it with care due to its complex structure. Safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored under certain conditions to prevent degradation and ensure safety.

How should (2S)-1-(6-amino-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}hexanoyl)pyrrolidine-2-carboxylic acid (CAS: 76547-98-3) be stored?

This compound should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly closed container and at a temperature not exceeding 25°C. Humidity should be minimized to prevent moisture from affecting its stability.