Name: Z-CYS(BZL)-OH
SKU: 3257-18-9

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Basic Information

Molecular Structure:
CAS No.:	3257-18-9
Name:	Z-CYS(BZL)-OH
Article Data:	7

Formula:	C₁₈H₁₉NO₄S
Molecular Weight:	345.419
Synonyms:	Alanine,3-(benzylthio)-N-carboxy-, N-benzyl ester, L- (8CI);Alanine,3-(benzylthio)-N-carboxy-, benzyl ester (7CI);N-(Benzyloxycarbonyl)-S-benzyl-L-cysteine;N-Carbobenzoxy-S-benzyl-L-cysteine;NSC 164669;S-Benzyl-N-(benzyloxycarbonyl)-L-cysteine;S-Benzyl-N-carbobenzyloxy-L-cysteine;
EINECS:	221-855-8
Density:	1.278 g/cm³
Melting Point:	96.0 to 100.0 °C
Boiling Point:	560.6 °C at 760mmHg
Flash Point:	292.9 °C
PSA:	100.93000
LogP:	3.69030

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Specification

The L-Cysteine,N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)-, with the CAS registry number 3257-18-9, is also known as Cbz-S-benzyl-L-cysteine and S-Benzyl-N-benzyloxycarbonyl-L-cysteine. It belongs to the product categories of Amino Acid Derivatives; Cysteine [Cys, C]. Its EINECS registry number is 221-855-8. This chemical's molecular formula is C₁₈H₁₉NO₄S and molecular weight is 345.41. What's more, its IUPAC name is 3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid and systematic name is called S-Benzyl-N-[(benzyloxy)carbonyl]-L-cysteine.

Physical properties about L-Cysteine,N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)- are: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 7.7; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.44; (8) ACD/KOC (pH 7.4): 1.66; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 81.14 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 93.71 cm³; (15)Molar Volume: 270.2 cm³; (16)Surface Tension: 55.5 dyne/cm; (17)Density: 1.278 g/cm³; (18)Flash Point: 292.9 °C; (19)Enthalpy of Vaporization: 88.72 kJ/mol; (20)Boiling Point: 560.6 °C at 760 mmHg; (21) Vapour Pressure: 2.09E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CSCc2ccccc2
(2) InChI: InChI=1/C18H19NO4S/c20-17(21)16(13-24-12-15-9-5-2-6-10-15)19-18(22)23-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m0/s1
(3) InChIKey: ATPNWHGYKFXQNF-INIZCTEOBB