Name: Name:methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-4-sulfobutanoate
Brand: Angene
SKU: AG01EIY5
Rating: 90 (10 reviews)

methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-4-sulfobutanoate

CAS No.:

255737-47-4

Catalog Number:

AG01EIY5

Molecular Formula:

C13H16ClNO6S

Molecular Weight:

349.7872

Catalog Number:

AG01EIY5

Chemical Name:

methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-4-sulfobutanoate

CAS Number:

255737-47-4

Molecular Formula:

C13H16ClNO6S

Molecular Weight:

349.7872

MDL Number:

MFCD31440784

IUPAC Name:

methyl (2S)-4-chlorosulfonyl-2-(phenylmethoxycarbonylamino)butanoate

InChI:

InChI=1S/C13H16ClNO6S/c1-20-12(16)11(7-8-22(14,18)19)15-13(17)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,17)/t11-/m0/s1

InChI Key:

YSKBVJKRWRMIFH-NSHDSACASA-N

SMILES:

COC(=O)[C@@H](NC(=O)OCc1ccccc1)CCS(=O)(=O)Cl

Complexity:

469

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

349.782g/mol

Monoisotopic Mass:

349.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9