Name: Name:ASWMEDCHEM H41978
Brand: Angene
SKU: AG01ELAY
Rating: 90 (10 reviews)

ASWMEDCHEM H41978

CAS No.:

1366330-80-4

Catalog Number:

AG01ELAY

Molecular Formula:

C14H18INO4

Molecular Weight:

391.2015

Catalog Number:

AG01ELAY

Chemical Name:

ASWMEDCHEM H41978

CAS Number:

1366330-80-4

Molecular Formula:

C14H18INO4

Molecular Weight:

391.2015

MDL Number:

MFCD22129664

IUPAC Name:

(3S)-3-(3-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChI:

InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

InChI Key:

GLWPVCILRGJQHW-NSHDSACASA-N

SMILES:

OC(=O)C[C@@H](c1cccc(c1)I)NC(=O)OC(C)(C)C

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

391.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

391.205g/mol

Monoisotopic Mass:

391.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6