2-azanyl-N-[2-oxidanylidene-2-[2-oxidanylideneethyl(3-sulfanylpropanoyl)amino]ethyl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[2-oxidanylidene-2-[2-oxidanylideneethyl(3-sulfanylpropanoyl)amino]ethyl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[2-oxo-2-[2-oxoethyl(3-sulfanylpropanoyl)amino]ethyl]-3-phenyl-propanamide CAS Name: 2-amino-N-[2-[(3-mercapto-1-oxopropyl)-(2-oxoethyl)amino]-2-oxoethyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[2-oxo-2-[2-oxoethyl(3-sulfanylpropanoyl)amino]ethyl]-3-phenylpropanamide Traditional Name: 2-amino-N-[2-keto-2-[2-ketoethyl(3-mercaptopropanoyl)amino]ethyl]-3-phenyl-propionamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(=O)N(CC=O)C(=O)CCS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC(=O)N(CC=O)C(=O)CCS)N

InChI

InChI=1S/C16H21N3O4S/c17-13(10-12-4-2-1-3-5-12)16(23)18-11-15(22)19(7-8-20)14(21)6-9-24/h1-5,8,13,24H,6-7,9-11,17H2,(H,18,23)