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61058-48-8

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Basic Information
CAS No.: 61058-48-8
Name: Z-BETA-ALA-VAL-OH
Article Data: 1
Molecular Structure:
Molecular Structure of 61058-48-8 (Z-BETA-ALA-VAL-OH)
Formula: C16H22N2O5
Molecular Weight: 322.36
Synonyms: L-Valine,N-[N-[(phenylmethoxy)carbonyl]-b-alanyl]-;NSC164081;
Density: 1.203g/cm3
Boiling Point: 590.9 °C at 760 mmHg
Flash Point: 311.2 °C
PSA: 104.73000
LogP: 2.31010
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    L-Valine,N-[(phenylmethoxy)carbonyl]-b-alanyl- (9CI)

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  • L-Valine,N-[(phenylmethoxy)carbonyl]-b-alanyl- (9CI)

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  • L-Valine,N-[(phenylmethoxy)carbonyl]-b-alanyl- (9CI) cas 61058-48-8

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    L-Valine,N-[(phenylmethoxy)carbonyl]-b-alanyl- (9CI) cas 61058-48-8

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  • Z-BETA-ALA-VAL-OH

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    Z-BETA-ALA-VAL-OH

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  • Z-β-Ala-Val-OH

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Specification

The L-Valine,N-[(phenylmethoxy)carbonyl]-b-alanyl- (9CI), with CAS registry number 61058-48-8, belongs to the following product categories: (1)Dipeptides; (2)Dipeptides and Tripeptides; (3)Peptides. It has the systematic name of N-[(benzyloxy)carbonyl]-β-alanyl-L-valine. This chemical should be stored at the temperature of −20°C.

Physical properties of L-Valine,N-[(phenylmethoxy)carbonyl]-b-alanyl- (9CI): (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 83.34 cm3; (15)Molar Volume: 267.9 cm3; (16)Polarizability: 33.03×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 311.2 °C; (20)Enthalpy of Vaporization: 92.71 kJ/mol; (21)Boiling Point: 590.9 °C at 760 mmHg; (22)Vapour Pressure: 8.29E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)CCNC(=O)OCc1ccccc1)C(C)C
(2)InChI: InChI=1/C16H22N2O5/c1-11(2)14(15(20)21)18-13(19)8-9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/t14-/m0/s1
(3)InChIKey: XFMVOOGGOCFBNM-AWEZNQCLBH
(4)Std. InChI: InChI=1S/C16H22N2O5/c1-11(2)14(15(20)21)18-13(19)8-9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/t14-/m0/s1
(5)Std. InChIKey: XFMVOOGGOCFBNM-AWEZNQCLSA-N