CAS 5241-56-5 (R)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate (HCID 68077307)

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Basic information

CAS: 5241-56-5
Standard SMILES: NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIKey: HHBOFAIEPRHUSR-OAHLLOKOSA-N
Molecular formula: C17H18N2O3
Average molar mass: 298.34 g/mol
Monoisotopic mass: 298.13174244

Names & identifiers

Preferred name: (R)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
IUPAC: benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
English name: Z-D-Phe-NH2
Molecular formula: C17H18N2O3
Molecular weight: 298.34

Names & synonyms

5241-56-5(R)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamateZ-D-PHE-NH2Nalpha-[(Benzyloxy)carbonyl]-D-phenylalaninamidebenzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamateMFCD00191136BENZYL N-[(1R)-1-CARBAMOYL-2-PHENYLETHYL]CARBAMATESCHEMBL10250520DTXSID00737940HHBOFAIEPRHUSR-OAHLLOKOSA-NAKOS016843159DS-18370

Show more names

Cbz-D-Phe-NH2Z-D-PHENYLALANINE AMIDECBZ-D-PHENYLALANINE AMIDEN-α-Carbobenzoxy-D-phenylalaninamideN-Benzyloxycarbonyl-D-phenylalaninamideN-Benzyloxycarbonyl-D-phenylalanine amideN-ALPHA-CARBOBENZOXY-D-PHENYLALANINE AMIDE-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)

CS-0149996F10919EN300-7408759(R)-benzyl 1-amino-1-oxo-3-phenylpropan-2-ylcarbamate(R)-Benzyl(1-amino-1-oxo-3-phenylpropan-2-yl)carbamatebenzyl N-[(1R)-2-amino-1-benzyl-2-oxo-ethyl]carbamatebenzyl (R)-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 361

Physicochemical properties

Melting point: 162 ℃ · 162℃
Boiling point: 549.4 · 549.4±50.0 °C(Predicted)
Density: 1.213 · 1.213±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: Solid
pka: 11.13 · 11.13±0.46(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Suppliers15 total

北京华美互利生物化工010-56205725 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]

Related reactions

4 records

New reaction record

HRID 84814As productuspto-grants-2014_09

HRID 84815As reactantuspto-grants-2014_09

HRID 2201045As productuspto-grants-2016_06

HRID 2201046As reactantuspto-grants-2016_06

Compound notes

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