CAS No.6968-11-2,N,N'-Bis(benzyloxycarbonyl)-L-cystine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6968-11-2
Name:	N,N'-Bis(benzyloxycarbonyl)-L-cystine
Article Data:	19

Formula:	C₂₂H₂₄N₂O₈S₂
Molecular Weight:	508.573
Synonyms:	Cystine,N,N'-dicarboxy-, N,N'-dibenzyl ester, L- (8CI);L-Cystine, N,N'-dicarboxy-,N,N'-dibenzyl ester (6CI);Dicarbobenzoxy-L-cystine;N,N'-Bis(benzyloxycarbonyl)-L-cystine;N,N'-Bis(benzyloxycarbonyl)cystine;N,N'-Dicarbobenzoxy-L-cystine;N,N'-Dicarbobenzoxycystine;N,N'-Dicarboxy-L-cystine N,N'-dibenzyl ester;N,N'-DicarboxycystineN,N'-dibenzyl ester;NSC 154939;NSC 20645;NSC 88480;(Z-Cys-OH)2;
EINECS:	230-181-3
Density:	1.422 g/cm³
Melting Point:	118-122 °C
Boiling Point:	766.1 °C at 760 mmHg
Flash Point:	417.1 °C
Safety:	24/25
PSA:	201.86000
LogP:	3.90880

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Specification

The L-Cystine,N,N'-bis[(phenylmethoxy)carbonyl]-, with the CAS registry number 6968-11-2, is also known as N,N'-Dibenzyloxycarbonyl-L-cystine and (Z-Cys-OH)₂. It belongs to the product categories of Amino Acid Derivatives; Cysteine [Cys, C]; Z-Amino Acids and Derivatives; Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Z-Amino Acid Series. Its EINECS registry number is 230-181-3. This chemical's molecular formula is C₂₂H₂₄N₂O₈S₂ and molecular weight is 508.56. What's more, its IUPAC name is 3-[[3-Hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid and systematic name is called N,N'-Bis[(benzyloxy)carbonyl]-L-cystine.

Physical properties about L-Cystine,N,N'-bis[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 162.28 Å²; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 127.13 cm³; (9)Molar Volume: 357.5 cm³; (10)Polarizability: 50.39×10^-24cm³; (11)Surface Tension: 66 dyne/cm; (12)Density: 1.422 g/cm³; (13)Flash Point: 417.1 °C; (14)Enthalpy of Vaporization: 117.04 kJ/mol; (15)Boiling Point: 766.1 °C at 760 mmHg; (16)Vapour Pressure: 1.11E-24 mmHg at 25°C; (17)Melting Point: 118-122 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CSSC[C@@H](C(=O)O)NC(=O)OCc2ccccc2
(2) InChI: InChI=1/C22H24N2O8S2/c25-19(26)17(23-21(29)31-11-15-7-3-1-4-8-15)13-33-34-14-18(20(27)28)24-22(30)32-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)/t17-,18-/m0/s1
(3) InChIKey: PTRQEEVKHMDMCF-ROUUACIJBZ