Z-CYS(BZL)-OH
- Iupac Name:(2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
- CAS No.: 3257-18-9
- Molecular Weight:345.41
- Modify Date.: 2022-12-15 03:36
- Introduction:
White crystalline powder
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1. Names and Identifiers
- 1.1 Name
- Z-CYS(BZL)-OH
- 1.2 Synonyms
(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(benzylsulfanyl)propanoic acid (2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Alanine, 3-(benzylthio)-N-carboxy-, benzyl ester Alanine, 3-(benzylthio)-N-carboxy-, N-benzyl ester, L- Alanine,3-(benzylthio)-N-carboxy-, benzyl ester (7CI) Alanine,3-(benzylthio)-N-carboxy-, N-benzyl ester, L- (8CI) Benzeneacetic acid, [(1S)-1-carboxy-2-[(phenylmethyl)thio]ethyl]azanyl ester benzyloxycarbonyl-S-benzylcysteine L-Cysteine, N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)- N-(Benzyloxycarbonyl)-S-benzyl-L-cysteine N-[(Phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteine N-Carbobenzoxy-S-benzyl-L-cysteine N-Cbz-S-(phenylMethyl)-L-cysteine N-Cbz-S-benzyl-L-cysteine
Cbz-Cys(Bzl)-OH N-Cbz-S-benzyl-L-cysteine, Nα-Z-S-benzyl-L-cysteine NSC 164669 S-Benzyl-N-(benzyloxycarbonyl)-L-cysteine S-Benzyl-N-carbobenzyloxy-L-cysteine Z-CYS(BZL) Z-S-Bzl-L-Cys-OH
- 1.3 CAS No.
- 3257-18-9
- 1.4 CID
- 98775
- 1.5 EINECS(EC#)
- 221-855-8
- 1.6 Molecular Formula
- C18H19NO4S (isomer)
- 1.7 Inchi
- InChI=1S/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
- 1.8 InChkey
- ATPNWHGYKFXQNF-INIZCTEOSA-N
- 1.9 Canonical Smiles
- OC(=O)[C@H](CSCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)COC(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)O
2. Properties
- 2.1 Density
- 1.278
- 2.1 Melting point
- 96.0 to 100.0 °C
- 2.1 Boiling point
- 560.6°Cat760mmHg
- 2.1 Refractive index
- 1.61
- 2.1 Flash Point
- 292.9°C
- 2.1 Precise Quality
- 345.10300
- 2.1 PSA
- 100.93000
- 2.1 logP
- 3.69030
- 2.1 Appearance
- White to Almost white powder to crystal
- 2.2 Storage
- 2-8°C
- 2.3 Chemical Properties
- White crystalline powder Z-CYS(BZL)-OHSupplier
- 2.4 StorageTemp
- Sealed in dry,Room Temperature
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
Pictogram(s) | no data available |
Signal word | no data available |
Hazard statement(s) | no data available |
Precautionary statement(s) | |
Prevention | no data available |
Response | no data available |
Storage | no data available |
Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Other Information
- 6.0 Chemical Properties
- White crystalline powder
7. Computational chemical data
- Molecular Weight: 345.41g/mol
- Molecular Formula: C18H19NO4S
- Compound Is Canonicalized: True
- XLogP3-AA: 3.2
- Exact Mass: 345.10347926
- Monoisotopic Mass: 345.10347926
- Complexity: 393
- Rotatable Bond Count: 9
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 101
- Heavy Atom Count: 24
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB6OABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQQCAAADCjl2AawCILABgiIAiDSGAACAAAgABAIiIGICIkKJiKgMTiIcAAk1gE4qAeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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9. Realated Product Infomation