(2R)-2-acetamido-3-[2-[(3-azanyl-3-oxidanylidene-propyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[2-[(3-azanyl-3-oxidanylidene-propyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-[2-[(3-amino-3-oxo-propyl)amino]-2-oxo-1-phenyl-ethyl]sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[[2-[(3-amino-3-oxopropyl)amino]-2-oxo-1-phenylethyl]thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[2-[(3-amino-3-oxopropyl)amino]-2-oxo-1-phenylethyl]sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[[2-[(3-amino-3-keto-propyl)amino]-2-keto-1-phenyl-ethyl]thio]propionic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(C1=CC=CC=C1)C(=O)NCCC(=O)N)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC(C1=CC=CC=C1)C(=O)NCCC(=O)N)C(=O)O

InChI

InChI=1S/C16H21N3O5S/c1-10(20)19-12(16(23)24)9-25-14(11-5-3-2-4-6-11)15(22)18-8-7-13(17)21/h2-6,12,14H,7-9H2,1H3,(H2,17,21)(H,18,22)(H,19,20)(H,23,24)/t12-,14?/m0/s1