Name: Name:4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester
Brand: Angene
SKU: AG01EYC1
Rating: 90 (10 reviews)

4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester

CAS No.:

886497-15-0

Catalog Number:

AG01EYC1

Molecular Formula:

C27H28N2O7

Molecular Weight:

492.5204

Catalog Number:

AG01EYC1

Chemical Name:

4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester

CAS Number:

886497-15-0

Molecular Formula:

C27H28N2O7

Molecular Weight:

492.5204

MDL Number:

MFCD05865287

IUPAC Name:

(4-phenacyloxycarbonylphenyl)methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate

InChI:

InChI=1S/C27H28N2O7/c1-27(2,3)36-26(33)28-21-14-22(29(4)15-21)25(32)34-16-18-10-12-20(13-11-18)24(31)35-17-23(30)19-8-6-5-7-9-19/h5-15H,16-17H2,1-4H3,(H,28,33)

InChI Key:

KVSFEVYZRZXPHU-UHFFFAOYSA-N

SMILES:

O=C(c1cc(cn1C)NC(=O)OC(C)(C)C)OCc1ccc(cc1)C(=O)OCC(=O)c1ccccc1

Complexity:

780

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

492.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

492.528g/mol

Monoisotopic Mass:

492.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2