CAS No.31461-61-7,H-GLU-VAL-PHE-OH Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	31461-61-7
Name:	H-GLU-VAL-PHE-OH

Formula:	C₁₉H₂₇N₃O₆
Molecular Weight:	393.44
Synonyms:	Glutaramicacid, 4-amino-N-[1-[(a-carboxyphenethyl)carbamoyl]-2-methylpropyl]-, stereoisomer (8CI);L-Phenylalanine, N-(N-L-a-glutamyl-L-valyl)-;37: PN: WO2010010467 SEQID: 37 claimed sequence;Glutamylvalylphenylalanine;H-Glu-Val-Phe-OH;
Density:	1.268 g/cm³
Boiling Point:	743 °C at 760 mmHg
Flash Point:	403.2 °C
PSA:	158.82000
LogP:	1.61350

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Specification

The CAS register number of H-GLU-VAL-PHE-OH is 31461-61-7. It also can be called as L-Phenylalanine, N-(N-L-alpha-glutamyl-L-valyl)- and the IUPAC name about this chemical is (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid. The molecular formula about this chemical is C₁₉H₂₇N₃O₆ and the molecular weight is 393.43. It belongs to the following product categories which include Dipeptides and Tripeptides; Peptides; Tripeptides and so on.

Physical properties about H-GLU-VAL-PHE-OH are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 12; (10)Polar Surface Area: 96.46Å²; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 100.51 cm³; (13)Molar Volume: 310.1 cm³; (14)Polarizability: 39.84x10^-24cm³; (15)Surface Tension: 56.3 dyne/cm; (16)Flash Point: 403.2 °C; (17)Enthalpy of Vaporization: 113.71 kJ/mol; (18)Boiling Point: 743 °C at 760 mmHg; (19)Vapour Pressure: 3.48E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C(C)C
(2)InChI: InChI=1/C19H27N3O6/c1-11(2)16(22-17(25)13(20)8-9-15(23)24)18(26)21-14(19(27)28)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t13-,14-,16-/m0/s1
(3)InChIKey: FVGOGEGGQLNZGH-DZKIICNBBQ
(4)Std. InChI: InChI=1S/C19H27N3O6/c1-11(2)16(22-17(25)13(20)8-9-15(23)24)18(26)21-14(19(27)28)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t13-,14-,16-/m0/s1
(5)Std. InChIKey: FVGOGEGGQLNZGH-DZKIICNBSA-N