CAS No.103425-21-4,H-ALA-LYS-PHE-ASP-LYS-PHE-TYR-GLY-LEU-MET-NH2 Suppliers

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Molecular Structure:
CAS No.:	103425-21-4
Name:	H-ALA-LYS-PHE-ASP-LYS-PHE-TYR-GLY-LEU-MET-NH2
Article Data:	1

Formula:	C₅₉H₈₇N₁₃O₁₃S
Molecular Weight:	1218.49
Synonyms:	Scyliorhinin I (Sphyrna lewini);Shark SP-related peptide;Physalemin,1-de(5-oxo-L-proline)-3-L-lysine-4-L-phenylalanine-5-L-aspartic acid-;L-Methioninamide, L-alanyl-L-lysyl-L-phenylalanyl-L-a-aspartyl-L-lysyl-L-phenylalanyl-L-tyrosylglycyl-L-leucyl-;
Density:	1.264 g/cm³
Boiling Point:	1590.2 °C at 760 mmHg
Flash Point:	915.5 °C
PSA:	465.88000
LogP:	5.09840

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Specification

The Scyliorhinin I (9CI) is an organic compound with the formula C₅₉H₈₇N₁₃O₁₃S. The IUPAC name of this chemical is (3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid. With the CAS registry number 103425-21-4, it is also named as Physalemin, 1-de(5-oxo-L-proline)-3-L-lysine-4-L-phenylalanine-5-L-aspartic acid-. The product's category is Peptide.

Physical properties about Scyliorhinin I (9CI) are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.31; (4)ACD/LogD (pH 7.4): -1.9; (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: 26; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 44; (12)Polar Surface Area: 273.65 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 323.27 cm³; (15)Molar Volume: 963.4 cm³; (16)Polarizability: 128.15×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.264 g/cm³; (19)Flash Point: 915.5 °C; (20)Enthalpy of Vaporization: 260.04 kJ/mol; (21)Boiling Point: 1590.2 °C at 760 mmHg.

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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCCN)Cc1ccccc1)CC(=O)O)CCCCN)Cc2ccccc2)Cc3ccc(O)cc3)CC(C)C)CCSC
(2)InChI: InChI=1/C59H87N13O13S/c1-35(2)29-44(56(82)66-41(51(63)77)25-28-86-4)65-49(74)34-64-53(79)45(32-39-21-23-40(73)24-22-39)69-57(83)46(30-37-15-7-5-8-16-37)71-55(81)43(20-12-14-27-61)68-59(85)48(33-50(75)76)72-58(84)47(31-38-17-9-6-10-18-38)70-54(80)42(19-11-13-26-60)67-52(78)36(3)62/h5-10,15-18,21-24,35-36,41-48,73H,11-14,19-20,25-34,60-62H2,1-4H3,(H2,63,77)(H,64,79)(H,65,74)(H,66,82)(H,67,78)(H,68,85)(H,69,83)(H,70,80)(H,71,81)(H,72,84)(H,75,76)/t36-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
(3)InChIKey: LSFZLJJVGIYLDA-SRYPMHJGBN
(4)Std. InChI: InChI=1S/C59H87N13O13S/c1-35(2)29-44(56(82)66-41(51(63)77)25-28-86-4)65-49(74)34-64-53(79)45(32-39-21-23-40(73)24-22-39)69-57(83)46(30-37-15-7-5-8-16-37)71-55(81)43(20-12-14-27-61)68-59(85)48(33-50(75)76)72-58(84)47(31-38-17-9-6-10-18-38)70-54(80)42(19-11-13-26-60)67-52(78)36(3)62/h5-10,15-18,21-24,35-36,41-48,73H,11-14,19-20,25-34,60-62H2,1-4H3,(H2,63,77)(H,64,79)(H,65,74)(H,66,82)(H,67,78)(H,68,85)(H,69,83)(H,70,80)(H,71,81)(H,72,84)(H,75,76)/t36-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
(5)Std. InChIKey: LSFZLJJVGIYLDA-SRYPMHJGSA-N