CAS No.192726-05-9,(S)-N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide Suppliers

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Molecular Structure:
CAS No.:	192726-05-9
Name:	(S)-N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
Article Data:	4

Formula:	C₂₇H₃₈N₄O₃
Molecular Weight:	466.624
Synonyms:	(2S)-N-[(1S,3S,4S)-4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanamide;
Density:	1.154 g/cm³
Boiling Point:	762.223 °C at 760 mmHg
Flash Point:	414.778 °C
Appearance:	white solid
PSA:	114.67000
LogP:	3.59330

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Specification

The (S)-N-[(2S, 4S, 5S)-5-Amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide, with the CAS registry number 192726-05-9, belongs to the product categories of Aromatics Compounds; Aromatics; Chiral Reagents; Intermediates. This chemical's molecular formula is C₂₇H₃₈N₄O₃ and molecular weight is 466.62. What's more, its systematic name is (2S)-N-[(1S, 3S, 4S)-4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanamide.

Physical properties about (S)-N-[(2S, 4S, 5S)-5-Amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.842; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 13; (10)Polar Surface Area: 107.69 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 133.924 cm³; (13)Molar Volume: 404.24 cm³; (14)Polarizability: 53.092×10^-24 cm³; (15)Surface Tension: 50.72 dyne/cm; (16)Density: 1.154 g/cm³; (17)Flash Point: 414.778 °C; (18)Enthalpy of Vaporization: 116.474 kJ/mol; (19)Boiling Point: 762.223 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N)O)N3CCCNC3=O
(2) InChI: InChI=1/C27H38N4O3/c1-19(2)25(31-15-9-14-29-27(31)34)26(33)30-22(16-20-10-5-3-6-11-20)18-24(32)23(28)17-21-12-7-4-8-13-21/h3-8,10-13,19,22-25,32H,9,14-18,28H2,1-2H3,(H,29,34)(H,30,33)/t22-,23-,24-,25-/m0/s1
(3) InChIKey: PSXHIAOZPOGORP-QORCZRPOBJ