2-[2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]acetyl]amino]acetic acid Formula: C17H23N3O6S MolecularWeight: 397.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)NCC(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O6S/c1-27-8-7-13(16(24)19-9-14(21)18-10-15(22)23)20-17(25)26-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,21)(H,19,24)(H,20,25)(H,22,23)