(2S)-2-[2-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]ethylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]ethylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[2-[[(1S)-1-ethoxycarbonyl-3-methylsulfanyl-propyl]amino]ethylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[2-[[(2S)-1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino]ethylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[2-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]ethylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[2-[[(1S)-1-carbethoxy-3-(methylthio)propyl]amino]ethylamino]-3-phenyl-propionic acid Formula: C18H28N2O4S MolecularWeight: 368.49092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NCCNC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NCCN[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H28N2O4S/c1-3-24-18(23)15(9-12-25-2)19-10-11-20-16(17(21)22)13-14-7-5-4-6-8-14/h4-8,15-16,19-20H,3,9-13H2,1-2H3,(H,21,22)/t15-,16-/m0/s1