(2R)-2-[[2-(3-cyclohexylpropanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(3-cyclohexylpropanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(3-cyclohexylpropanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[(3-cyclohexyl-1-oxopropyl)amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(3-cyclohexylpropanoylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(3-cyclohexylpropanoylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H32N2O4S/c25-20(12-11-16-7-3-1-4-8-16)23-18(13-14-29)21(26)24-19(22(27)28)15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-19,29H,1,3-4,7-8,11-15H2,(H,23,25)(H,24,26)(H,27,28)/t18?,19-/m1/s1