(2S)-2-[[(2S)-4-methyl-2-sulfanyl-pentanoyl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-sulfanyl-pentanoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-4-methyl-2-sulfanyl-pentanoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-mercapto-4-methyl-1-oxopentyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-mercapto-4-methyl-pentanoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C21H25NO3S/c1-14(2)12-19(26)20(23)22-18(21(24)25)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,26H,12-13H2,1-2H3,(H,22,23)(H,24,25)/t18-,19-/m0/s1