Alloc-Val-Ala-PAB-OH - ≥97% , CAS No.1343407-91-9

CAS: 1343407-91-9 Cat. No.: A405655 분자식: C₁₉H₂₇N₃O₅ 분자량: 377.44

GRADE & PURITY ≥97%

Synonyms

N-(Allyloxycarbonyl)-L-valyl-[4-(hydroxymethyl)phenyl]-L-alaninamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

N-(Allyloxycarbonyl)-L-valyl-[4-(hydroxymethyl)phenyl]-L-alaninamide

사양 및 순도

≥97%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 504771933
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771933
• 정식 스마일: CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OCC=C
• IUPAC Name: prop-2-enyl N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
• InChIKey: LVLAVLCLIPDFJK-BBRMVZONSA-N
• INCHI: 1S/C19H27N3O5/c1-5-10-27-19(26)22-16(12(2)3)18(25)20-13(4)17(24)21-15-8-6-14(11-23)7-9-15/h5-9,12-13,16,23H,1,10-11H2,2-4H3,(H,20,25)(H,21,24)(H,22,26)/t13-,16-/m0/s1
• 이성체 SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C(C)C)NC(=O)OCC=C
• 분자량: 377.44
• Reaxy-Rn: 41264645
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41264645&ln=

화학 및 물리적 특성

• 감도: Light Sensitive,Moisture Sensitive,Heat Sensitive
• 특정 회전[α]: -16° (C=1,DMF)
• 녹는점(°C): 227 °C
• 분자량: 377.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 377.195 Da
• Monoisotopic Mass: 377.195 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 515.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1