Z-PRO-ONP

1. Namen und Bezeichner

1.2 Synonyme: Z-PRO-ONP;Z-PROLIN-ONP;ZL-PROLIN-4-NITROPHENYLESTER;ZL-PROLIN-NITROPHENYLESTER;P-NITROPHENYLCARBOBENZOXY-L-PROLIN;N-CARBOBENZOXY-L-PROLIN-P-NITROPHENYLESTER;N-CBZ -L-PROLIN-P-NITROPHENYLESTER;BENZYLOXYCARBONYL-L-PROLIN-4-NITROPHENYLESTER

1.7 Inchi: InChI=1S/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1

1.9 Kanonisch SMILES: C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

1.10 Isomere SMILES: C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

2. Eigenschaften

3. Sicherheit

3.3 Sicherheit und Gefahren

WGK Deutschland	3
RTECS	UY0750000

4. SDB-Informationen

no data available

no data available

5. NMR Spektrum

Predict 1H proton NMR

6. Computerchemische Daten

Molecular Weight：370.36g/mol
Molecular Formula：C₁₉H₁₈N₂O₆
Compound Is Canonicalized：True
Exact Mass：3.5
XLogP3-AA：370.11648630
Monoisotopic Mass：370.11648630
Complexity：535
Rotatable Bond Count：6
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：102
Heavy Atom Count：：27
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：AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgAEAAAADCzhmAYwzoMQRACJAiTSWwCCCAAgIgAoiAGObIoOJjKEsbuPOiDkxhGY6Ae40SIOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==