-
Name
Z-GLY-GLY-ILE-OH
- EINECS
- CAS No. 102601-54-7
- Density 1.236 g/cm3
- Solubility
- Melting Point
- Formula C18H25N3O6
- Boiling Point 711.4 °C at 760 mmHg
- Molecular Weight 379.41
- Flash Point 384 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms L-Isoleucine,N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]-;Z-Gly-Gly-lle-OH;;(11S,12S)-12-Methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazatetradecane-11-carboxylic acid;
- PSA 133.83000
- LogP 1.81720
L-Isoleucine,N-[(phenylmethoxy)carbonyl]glycylglycyl- (9CI) Specification
The systematic name of L-Isoleucine,N-[(phenylmethoxy)carbonyl]glycylglycyl- (9CI) is N-[(benzyloxy)carbonyl]glycylglycylisoleucine. With the CAS registry number 102601-54-7, it is also named as Z-Gly-Gly-lle-OH. In addition, its molecular formula is C18H25N3O6 and its molecular weight is 379.41.
The other characteristics of L-Isoleucine,N-[(phenylmethoxy)carbonyl]glycylglycyl- (9CI) can be summarized as: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 96.46 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 96.23 cm3; (9)Molar Volume: 306.8 cm3; (10)Polarizability: 38.14×10-24cm3; (11)Surface Tension: 50.2 dyne/cm; (12)Density: 1.236 g/cm3; (13)Flash Point: 384 °C; (14)Enthalpy of Vaporization: 109.21 kJ/mol; (15)Boiling Point: 711.4 °C at 760 mmHg; (16)Vapour Pressure: 3.06E-21 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(C)CC
(2)InChI: InChI=1/C18H25N3O6/c1-3-12(2)16(17(24)25)21-15(23)10-19-14(22)9-20-18(26)27-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,22)(H,20,26)(H,21,23)(H,24,25)
(3)InChIKey: FHIFMGIEEFWNFK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C18H25N3O6/c1-3-12(2)16(17(24)25)21-15(23)10-19-14(22)9-20-18(26)27-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,22)(H,20,26)(H,21,23)(H,24,25)
(5)Std. InChIKey: FHIFMGIEEFWNFK-UHFFFAOYSA-N
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