Name: Name:(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl 4-methylbenzenesulfonate
Brand: Angene
SKU: AG006YBO
Rating: 90 (10 reviews)

(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl 4-methylbenzenesulfonate

CAS No.:

141403-49-8

Catalog Number:

AG006YBO

Molecular Formula:

C21H27NO5S

Molecular Weight:

405.5078

Catalog Number:

AG006YBO

Chemical Name:

(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl 4-methylbenzenesulfonate

CAS Number:

141403-49-8

Molecular Formula:

C21H27NO5S

Molecular Weight:

405.5078

MDL Number:

MFCD22571764

IUPAC Name:

[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate

InChI:

InChI=1S/C21H27NO5S/c1-16-10-12-19(13-11-16)28(24,25)26-15-18(14-17-8-6-5-7-9-17)22-20(23)27-21(2,3)4/h5-13,18H,14-15H2,1-4H3,(H,22,23)/t18-/m0/s1

InChI Key:

RQWPOWPOCHOWOX-SFHVURJKSA-N

SMILES:

O=C(OC(C)(C)C)N[C@@H](Cc1ccccc1)COS(=O)(=O)c1ccc(cc1)C

Complexity:

579

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

405.161g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

405.509g/mol

Monoisotopic Mass:

405.161g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3