Name: HEMOKININ 1 (HUMAN)
SKU: 491851-53-7

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Basic Information

Molecular Structure:
CAS No.:	491851-53-7
Name:	HEMOKININ 1 (HUMAN)

Formula:	C₅₄H₈₄N₁₄O₁₄S
Molecular Weight:	1185.40
Synonyms:	Hemokinin-1 (human gene PPT-C);Human hemokinin 1;
Density:	1.282 g/cm³
Boiling Point:	1669.168 °C at 760 mmHg
Flash Point:	963.278 °C
Solubility:	Soluble to 0.70 mg/ml in water
Safety:	22-24/25
PSA:	480.99000
LogP:	1.08700

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Specification

The CAS registry number of L-Methioninamide,L-threonylglycyl-L-lysyl-L-alanyl-L-seryl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl- is 491851-53-7. The systematic name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]pentanediamide. In addition, the molecular formula is C₅₄H₈₄N₁₄O₁₄S and the molecular weight is 1185.40. What's more, it should be stored in a cool and dry place.

Physical properties about L-Methioninamide,L-threonylglycyl-L-lysyl-L-alanyl-L-seryl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 28; (6)#H bond donors: 20; (7)#Freely Rotating Bonds: 43; (8)Polar Surface Area: 494.98 Å²; (9)Index of Refraction: 1.578; (10)Molar Refractivity: 306.662 cm³; (11)Molar Volume: 924.653 cm³; (12)Polarizability: 121.57 ×10^-24cm³; (13)Surface Tension: 58.685 dyne/cm; (14)Density: 1.282 g/cm³; (15)Flash Point: 963.278 °C; (16)Enthalpy of Vaporization: 276.206 kJ/mol; (17)Boiling Point: 1669.168 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)N)O
(2)InChI: InChI=1/C54H84N14O14S/c1-30(2)24-38(51(79)64-35(46(58)74)21-23-83-5)63-44(73)27-59-48(76)39(25-33-14-8-6-9-15-33)66-52(80)40(26-34-16-10-7-11-17-34)67-50(78)37(19-20-42(56)71)65-53(81)41(29-69)68-47(75)31(3)61-49(77)36(18-12-13-22-55)62-43(72)28-60-54(82)45(57)32(4)70/h6-11,14-17,30-32,35-41,45,69-70H,12-13,18-29,55,57H2,1-5H3,(H2,56,71)(H2,58,74)(H,59,76)(H,60,82)(H,61,77)(H,62,72)(H,63,73)(H,64,79)(H,65,81)(H,66,80)(H,67,78)(H,68,75)/t31-,32+,35-,36-,37-,38-,39-,40-,41-,45-/m0/s1
(3)InChIKey: NYBLUYYRUFKGTB-XJCFQSCIBO

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