L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (1:1)

Basic Information

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CAS Number

68521-88-0

Molecular Formula

C52H75N13O14

Molecular Weight

1106.25 g/mol

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

Solubility

H2O: 25 mg/mL, clear, colorless

SMILES

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CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)O

InChI

InChI=1S/C50H71N13O12.C2H4O2/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66;1-2(3)4/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55);1H3,(H,3,4)/t28-,33-,34-,35-,36-,37-,38-,40-,41-;/m0./s1

InChIKey

VBTZKFAHKJXHBA-PIONDTTLSA-N

LogP

-1.2238000000000058

Topological Polar Surface Area

446.1399999999999 Å²

Hydrogen Bond Donor/Acceptor

17 / 27

Complexity

2010

Synonyms & References

English

CHEMBL3989932
Angiotensin ii triacetate
Angiotensin II acetate (USAN)
CCG-270639
32044-01-2
CS-0102935
Angiotensin II (human) (acetate)
ASP-ARG-VAL-TYR-ILE-HIS-PRO-PHE ACETATE SALT
Human angiotensin II acetate salt
DRVYIHPF acetate
Angiotensin II, 5-L-isoleucine-, monoacetate (salt)
Angiotensin II acetate [USAN]
Angiotensin II, 5-L-isoleucine-, acetate (salt)
HY-13948A
SCHEMBL1585377
AKOS040759453
Q27256060
Giapreza (TN)
Angiotensin II human acetate
Angiotensin II monoacetate
UNII-31L3HS630A
MS-31969
68521-88-0
D11142
Angiotensin II acetate
Angiotensin II acetate;Ang II acetate;DRVYIHPF acetate
MFCD00133092
(Ile5)-Angiotensin II acetate
DTXSID501027705
Angiotensin II, human acetate salt
Angiotensin II acetate human

MDL Number

MFCD00161484

FAQ

What is L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0)?

L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0) is a complex cyclic peptide, which is used in pharmaceutical research and development. It is a highly specific and potent inhibitor of HIV-1 integrase, a key enzyme in the HIV replication cycle.

What are the main uses of L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0)?

L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0) is primarily used as a research tool in the development of antiretroviral drugs, particularly as an inhibitor of HIV-1 integrase. It is also used in basic research to study the mechanisms of HIV-1 integration.

Is L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0) safe?

L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0) is considered safe when used under controlled laboratory conditions. However, it should be handled with caution due to its potential for skin irritation and should be stored away from sources of heat and direct sunlight. Protective gloves and safety goggles should be worn during handling.

How should L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0) be stored?

L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine acetate (CAS: 68521-88-0) should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent degradation. For optimal stability, the compound should be stored at a temperature not exceeding 20°C (68°F).