CAS No.97559-35-8,NEUROKININ A (4-10) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	97559-35-8
Name:	NEUROKININ A (4-10)

Formula:	C₃₄H₅₄N₈O₁₀S
Molecular Weight:	766.916
Synonyms:	4-10-NeurokininA (swine spinal cord) (9CI);L-α-Aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methioninamide;
Density:	1.276 g/cm³
Boiling Point:	1231.2 °C at 760 mmHg
Flash Point:	698.4 °C
PSA:	326.54000
LogP:	1.25010

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Specification

The CAS registry number of L-Methioninamide, L-a-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl- is 97559-35-8. The systematic name is L-α-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methioninamide. In addition, the molecular formula is C₃₄H₅₄N₈O₁₀S and the molecular weight is 766.91. What's more, it belongs to the classes of Peptide; Agonist; Peptides for Cell Biology; Tachykinins. And the storage temperature of this chemical is -20 °C.

Physical properties about L-Methioninamide, L-a-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.61; (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: 12; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 206.24 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 195.86 cm³; (15)Molar Volume: 600.6 cm³; (16)Polarizability: 77.64 ×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.276 g/cm³; (19)Flash Point: 698.4 °C; (20)Enthalpy of Vaporization: 191.94 kJ/mol; (21)Boiling Point: 1231.2 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CO)Cc1ccccc1)C(C)C)CC(C)C)CCSC
(2)InChI: InChI=1/C34H54N8O10S/c1-18(2)13-23(31(49)39-22(29(36)47)11-12-53-5)38-26(44)16-37-34(52)28(19(3)4)42-32(50)24(14-20-9-7-6-8-10-20)40-33(51)25(17-43)41-30(48)21(35)15-27(45)46/h6-10,18-19,21-25,28,43H,11-17,35H2,1-5H3,(H2,36,47)(H,37,52)(H,38,44)(H,39,49)(H,40,51)(H,41,48)(H,42,50)(H,45,46)/t21-,22-,23-,24-,25-,28-/m0/s1
(3)InChIKey: YLVSTHFZZCHRCL-ORUZXOCWBL