2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-N-[1-oxidanylidene-1-[(2-oxidanylideneoxolan-3-yl)amino]-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-N-[1-oxidanylidene-1-[(2-oxidanylideneoxolan-3-yl)amino]-3-phenyl-propan-2-yl]pentanamide Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-N-[1-benzyl-2-oxo-2-[(2-oxotetrahydrofuran-3-yl)amino]ethyl]-3-methyl-pentanamide CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-N-[1-oxo-1-[(2-oxo-3-oxolanyl)amino]-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-3-methyl-N-[1-oxo-1-[(2-oxooxolan-3-yl)amino]-3-phenylpropan-2-yl]pentanamide Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-N-[1-benzyl-2-keto-2-[(2-ketotetrahydrofuran-3-yl)amino]ethyl]-3-methyl-valeramide Formula: C22H34N4O4S MolecularWeight: 450.59476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCOC2=O)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCOC2=O)NCC(CS)N

InChI

InChI=1S/C22H34N4O4S/c1-3-14(2)19(24-12-16(23)13-31)21(28)26-18(11-15-7-5-4-6-8-15)20(27)25-17-9-10-30-22(17)29/h4-8,14,16-19,24,31H,3,9-13,23H2,1-2H3,(H,25,27)(H,26,28)