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1187-50-4

Basic Information
CAS No.: 1187-50-4
Name: L-LEUCYL-GLYCYL-GLYCINE
Article Data: 8
Molecular Structure:
Molecular Structure of 1187-50-4 (L-LEUCYL-GLYCYL-GLYCINE)
Formula: C10H19N3O4
Molecular Weight: 245.279
Synonyms: Glycine,N-(N-L-leucylglycyl)- (7CI,8CI);Glycine, N-(N-leucylglycyl)- (6CI);110: PN:WO2007046818 PAGE: 60 claimed protein;37: PN: WO0028996 SEQID: 6 unclaimedprotein;L-Leucylglycylglycine;Leu-Gly-Gly;Leucylglycylglycine;H-Leu-Gly-Gly-OH;
EINECS: 219-925-8
Density: 1.199 g/cm3
Melting Point: ~220 °C (dec.)
Boiling Point: 573.7 °C at 760 mmHg
Flash Point: 300.8 °C
Appearance: White crystalline powder
PSA: 121.52000
LogP: 0.15890
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Specification

The Glycine,L-leucylglycyl- is an organic compound with the formula C10H19N3O4. The IUPAC name of this chemical is 2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]acetic acid. With the CAS registry number 1187-50-4, it is also named as Leucylglycylglycine.

Physical properties about Glycine,L-leucylglycyl- are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.78; (4)ACD/LogD (pH 7.4): -2.92; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 70.16 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 60.64 cm3; (15)Molar Volume: 204.5 cm3; (16)Polarizability: 24.04×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.199 g/cm3; (19)Flash Point: 300.8 °C; (20)Enthalpy of Vaporization: 93.95 kJ/mol; (21)Boiling Point: 573.7 °C at 760 mmHg; (22)Vapour Pressure: 1.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)O)CNC(=O)C(N)CC(C)C
(2)InChI: InChI=1/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)
(3)InChIKey: VWHGTYCRDRBSFI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)
(5)Std. InChIKey: VWHGTYCRDRBSFI-UHFFFAOYSA-N