Name: H-ALA-GLN-ASP-PHE-VAL-GLN-TRP-LEU-MET-ASN-THR-OH
SKU: 64790-15-4

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Basic Information

Molecular Structure:
CAS No.:	64790-15-4
Name:	H-ALA-GLN-ASP-PHE-VAL-GLN-TRP-LEU-MET-ASN-THR-OH

Formula:	C₆₁H₈₉N₁₅O₁₈S
Molecular Weight:	1352.51
Synonyms:	L-Threonine,N-[N2-[N-[N-[N-[N2-[N-[N-[N-(N2-L-alanyl-L-glutaminyl)-L-a-aspartyl]-L-phenylalanyl]-L-valyl]-L-glutaminyl]-L-tryptophyl]-L-leucyl]-L-methionyl]-L-asparaginyl]-;160: PN: WO0069900 SEQID: 339 unclaimed sequence;273: PN: US20090175821 SEQID:339 claimed protein;3: PN: WO2008093756 SEQID: 3 claimed protein;Glucagon(19-29);H-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr-OH;Miniglucagon;Glucagon (19-29), human;
Density:	1.339 g/cm³
Boiling Point:	1828.5 °C at 760 mmHg
Flash Point:	1059.6 °C
Appearance:	Solid
PSA:	582.21000
LogP:	2.66020

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Specification

The L-Threonine,L-alanyl-L-glutaminyl-L-a-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-, with the CAS registry number 64790-15-4, is also known as Glucagon (19-29). It belongs to the product category of Peptide. This chemical's molecular formula is C₆₁H₈₉N₁₅O₁₈S and molecular weight is 1352.5141. Its systematic name is called L-alanyl-L-glutaminyl-L-α-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threonine.

Physical properties of L-Threonine,L-alanyl-L-glutaminyl-L-a-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.02; (4)ACD/LogD (pH 7.4): -3.24; (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: 33; (10)#H bond donors: 22; (11)#Freely Rotating Bonds: 44; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 343.6 cm³; (14)Molar Volume: 1009.6 cm³; (15)Surface Tension: 63.1 dyne/cm; (16)Density: 1.339 g/cm³; (17)Flash Point: 1059.6 °C; (18)Enthalpy of Vaporization: 310.16 kJ/mol; (19)Boiling Point: 1828.5 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)N)CC(=O)O)Cc1ccccc1)C(C)C)CCC(=O)N)Cc3c2ccccc2 nc3)CC(C)C)CCSC)CC(=O)N)[C@H](O)C
(2)InChI: InChI=1/C61H89N15O18S/c1-29(2)23-40(55(87)68-39(21-22-95-7)54(86)73-43(26-47(65)80)59(91)76-50(32(6)77)61(93)94)70-56(88)42(25-34-28-66-36-16-12-11-15-35(34)36)72-53(85)38(18-20-46(64)79)69-60(92)49(30(3)4)75-58(90)41(24-33-13-9-8-10-14-33)71-57(89)44(27-48(81)82)74-52(84)37(17-19-45(63)78)67-51(83)31(5)62/h8-16,28-32,37-44,49-50,66,77H,17-27,62H2,1-7H3,(H2,63,78)(H2,64,79)(H2,65,80)(H,67,83)(H,68,87)(H,69,92)(H,70,88)(H,71,89)(H,72,85)(H,73,86)(H,74,84)(H,75,90)(H,76,91)(H,81,82)(H,93,94)/t31-,32+,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-/m0/s1
(3)InChIKey: SVHJFTNFNMWDBS-FPLSMPAJBX