CAS No.102029-74-3,H-TYR-PRO-PHE-VAL-GLU-PRO-ILE-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102029-74-3
Name:	H-TYR-PRO-PHE-VAL-GLU-PRO-ILE-OH

Formula:	C₄₄H₆₁N₇O₁₁
Molecular Weight:	864.009
Synonyms:	L-Isoleucine, N-[1-[N-[N-[N-(1-L-tyrosyl-L-prolyl)-L-phenylalanyl]-L-valyl]-L-a-glutamyl]-L-prolyl]-;17: PN:WO2006017688 SEQID: 65 unclaimed sequence;18: PN: WO0239997 SEQID: 23unclaimed sequence;49: PN: WO2006068768 SEQID: 47 claimed sequence;619: PN:US20090175821 SEQID: 745 claimed protein;91: PN: WO0069900 SEQID: 745unclaimed sequence;97: PN: WO0069900 SEQID: 753 unclaimed sequence;Human b-casomorphin 7;b-Casomorphin (human);b-Casomorphin-7(human);H-Tyr-pro-phe-val-glu-pro-ile-OH;
Density:	1.299 g/cm³
Melting Point:	103-105 °C
Boiling Point:	1239.2 °C at 760 mmHg
Flash Point:	703.2 °C
PSA:	277.87000
LogP:	3.21710

Total:19 Page 1 of 1 1

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Specification

The IUPAC name of L-Isoleucine, L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-α-glutamyl-L-prolyl- is 2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid. With the CAS registry number 102029-74-3, it is also named as H-Tyr-pro-phe-val-glu-pro-ile-OH. The product's categories are Peptide; Neuropeptides; Opioid Peptides; Other Opioid Peptides; Other Opioid Peptides Peptides for Cell Biology. It is stored at -20 °C. In addition, its molecular formula is C₄₄H₆₁N₇O₁₁ and its molecular weight is 863.99544.

The other characteristics of L-Isoleucine, L-tyrosyl-L-prolyl-L-phenylalanyl-L-valyl-L-α-glutamyl-L-prolyl- can be summarized as: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.12; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 18; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 186.93 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 224.59 cm³; (15)Molar Volume: 665 cm³; (16)Polarizability: 89.03×10^-24cm³; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.299 g/cm³; (19)Flash Point: 703.2 °C; (20)Enthalpy of Vaporization: 193.36 kJ/mol; (21)Boiling Point: 1239.2 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NC(C(=O)O)C(C)CC)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(N)Cc1ccc(O)cc1)CCC2)Cc3ccccc3)C(C)C)CCC(=O)O)CCC4
(2)InChI: InChI=1/C44H61N7O11/c1-5-26(4)37(44(61)62)49-40(57)34-14-10-22-51(34)43(60)31(19-20-35(53)54)46-41(58)36(25(2)3)48-38(55)32(24-27-11-7-6-8-12-27)47-39(56)33-13-9-21-50(33)42(59)30(45)23-28-15-17-29(52)18-16-28/h6-8,11-12,15-18,25-26,30-34,36-37,52H,5,9-10,13-14,19-24,45H2,1-4H3,(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,53,54)(H,61,62)
(3)InChIKey: ADBHAJDGVKLXHK-UHFFFAOYAE