(2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(3-sulfanylpropanoylamino)pentanamide

Systemtic Name: (2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(3-sulfanylpropanoylamino)pentanamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-2-(3-sulfanylpropanoylamino)pentanamide CAS Name: (2S)-2-[(3-mercapto-1-oxopropyl)amino]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: (2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3-sulfanylpropanoylamino)pentanamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-2-(3-mercaptopropanoylamino)-4-methyl-valeramide Formula: C19H29N3O3S MolecularWeight: 379.51686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)CCS

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC)NC(=O)CCS

InChI

InChI=1S/C19H29N3O3S/c1-13(2)11-15(21-17(23)9-10-26)19(25)22-16(18(24)20-3)12-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1