2-[[6-azanyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[6-amino-2-[(3-methyl-2-sulfanyl-butanoyl)amino]hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[6-amino-2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[6-amino-2-[(3-methyl-2-sulfanylbutanoyl)amino]hexanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[6-amino-2-[(2-mercapto-3-methyl-butanoyl)amino]hexanoyl]amino]-3-phenyl-propionic acid Formula: C20H31N3O4S MolecularWeight: 409.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)O)S

InChI

InChI=1S/C20H31N3O4S/c1-13(2)17(28)19(25)22-15(10-6-7-11-21)18(24)23-16(20(26)27)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17,28H,6-7,10-12,21H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)