MOLPORT-009-751-347

Iupac Name：(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

CAS No.：616204-22-9

Molecular Weight：888.99

Request For Quotation

1. Names and Identifiers

1.1 Name: MOLPORT-009-751-347
1.2 Synonyms: 2-(4-methoxy-3-methylphenyl)-n-(5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl)acetamide AKOS024533834 F6153-0247 MCULE-5709863265 VU0533556-1

1.3 CAS No.: 616204-22-9

1.4 CID: 11228338

1.5 Molecular Formula: C₁₄H₁₆N₄O₂ (isomer)

1.6 Inchi: InChI=1S/C34H60N14O12S/c1-17(49)43-20(8-11-25(51)52)29(57)47-22(9-12-26(53)54)31(59)48-23(13-16-61-2)32(60)46-21(7-10-24(35)50)30(58)45-19(6-4-15-42-34(39)40)28(56)44-18(27(36)55)5-3-14-41-33(37)38/h18-23H,3-16H2,1-2H3,(H2,35,50)(H2,36,55)(H,43,49)(H,44,56)(H,45,58)(H,46,60)(H,47,57)(H,48,59)(H,51,52)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t18-,19-,20-,21-,22-,23-/m0/s1

1.7 InChkey: RJZNPROJTJSYLC-LLINQDLYSA-N

1.8 Canonical Smiles: CC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N

1.9 Isomers Smiles: CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

2. Properties

3.1 Refractive index: 1.66

3.1 Precise Quality: 888.42400

3.1 PSA: 484.48000

3.1 logP: 0.80300

3. Safety and Handling

4.1 WGK Germany: 2

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Computational chemical data

Molecular Weight：888.99g/mol
Molecular Formula：C_₁₄H_₁₆N_₄O_₂
Compound Is Canonicalized：True
XLogP3-AA：_6.3
Exact Mass：888.42358458
Monoisotopic Mass：888.42358458
Complexity：1610
Rotatable Bond Count：32
Hydrogen Bond Donor Count：14
Hydrogen Bond Acceptor Count：15
Topological Polar Surface Area：490
Heavy Atom Count：61
Defined Atom Stereocenter Count：6
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

6. Question & Answer

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What Is Argireline?Efficacy,Mechanism,Instructions Jan 15 2020
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