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1421-69-8

Basic Information
CAS No.: 1421-69-8
Name: Z-GLY-LEU-OH
Article Data: 29
Molecular Structure:
Molecular Structure of 1421-69-8 (Z-GLY-LEU-OH)
Formula: C16H22N2O5
Molecular Weight: 322.361
Synonyms: Leucine, N-(N-carboxyglycyl)-, N-benzylester (7CI);Leucine, N-(N-carboxyglycyl)-, N-benzyl ester, L- (8CI);L-Leucine,N-[N-[(phenylmethoxy)carbonyl]glycyl]-;N-(Benzyloxycarbonyl)glycyl-L-leucine;N-(Benzyloxycarbonyl)glycylleucine;N-Carbobenzoxyglycyl-L-leucine;NSC 89638;
EINECS: 215-825-3
Density: 1.203 g/cm3
Melting Point: 99-100 °C
Boiling Point: 582 °C at 760 mmHg
Flash Point: 305.8 °C
PSA: 104.73000
LogP: 2.31010
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Specification

The L-Leucine,N-[(phenylmethoxy)carbonyl]glycyl-, with the CAS registry number 1421-69-8, is also known as N-(N-((Phenylmethoxy)carbonyl)glycyl)-L-leucine. It belongs to the product category of Amino Acid Derivatives. Its EINECS registry number is 215-825-3. This chemical's molecular formula is C16H22N2O5 and molecular weight is 322.35628. Its IUPAC name is called (2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoic acid.

Physical properties of L-Leucine,N-[(phenylmethoxy)carbonyl]glycyl-: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/LogD (pH 7.4): -1.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.66; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 83.34 cm3; (13)Molar Volume: 267.9 cm3; (14)Surface Tension: 47.7 dyne/cm; (15)Density: 1.203 g/cm3; (16)Flash Point: 305.8 °C; (17)Enthalpy of Vaporization: 91.54 kJ/mol; (18)Boiling Point: 582 °C at 760 mmHg; (19)Vapour Pressure: 2.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1
(2)Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1
(3)InChI: InChI=1S/C16H22N2O5/c1-11(2)8-13(15(20)21)18-14(19)9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/t13-/m0/s1
(4)InChIKey: MRRLFGAIRAUOCS-ZDUSSCGKSA-N