2-[2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid CAS Name: 2-[3-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-3-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C2=CC=CC=C2C1)CC(=O)O)NC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

C1CC(C(=O)N(C2=CC=CC=C2C1)CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)S

InChI

InChI=1S/C22H24N2O4S/c25-20(26)14-24-18-12-5-4-9-16(18)10-6-11-17(22(24)28)23-21(27)19(29)13-15-7-2-1-3-8-15/h1-5,7-9,12,17,19,29H,6,10-11,13-14H2,(H,23,27)(H,25,26)/t17?,19-/m0/s1