structure of 2-[[2-(Benzylsulfanylcarbonylamino)acetyl]amino]acetic acid

2-[[2-(Benzylsulfanylcarbonylamino)acetyl]amino]acetic acid

CAS No.: 100135-84-0
M. Wt: 282.31600
M. Fa: C12H14N2O4S
InChI Key: KVCIGNSEXMDORI-UHFFFAOYSA-N

Names and Identifiers of 100135-84-0

CAS Number

100135-84-0

IUPAC Name

2-[[2-(benzylsulfanylcarbonylamino)acetyl]amino]acetic acid

InChI

InChI=1S/C12H14N2O4S/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)

InChIKey

KVCIGNSEXMDORI-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)CSC(=O)NCC(=O)NCC(=O)O

Physical and chemical properties of 100135-84-0

Exact Mass

282.06700

LogP

1.61200

Molecular Formula

C12H14N2O4S

Molecular Weight

282.31600

PSA

120.80000

Retrosynthesis analysis of 100135-84-0

  • Route#1

    Cas:100-53-8
    Cas:100135-84-0