4-methyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[[(3S,4R)-1-phenyl-4-sulfanyl-pentan-3-yl]amino]propan-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-methyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[[(3S,4R)-1-phenyl-4-sulfanyl-pentan-3-yl]amino]propan-2-yl]piperazine-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-[[(1S,2R)-1-phenethyl-2-sulfanyl-propyl]amino]ethyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[(2S)-1-[[(3S,4R)-4-mercapto-1-phenylpentan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-1-piperazinecarboxamide IUPAC Name: 4-methyl-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,4R)-1-phenyl-4-sulfanylpentan-3-yl]amino]propan-2-yl]piperazine-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[[(1S,2R)-2-mercapto-1-phenethyl-propyl]amino]ethyl]-4-methyl-piperazine-1-carboxamide Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N3CCN(CC3)C)S

Isomeric SMILES

C[C@H]([C@H](CCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3CCN(CC3)C)S

InChI

InChI=1S/C26H36N4O2S/c1-20(33)23(14-13-21-9-5-3-6-10-21)27-25(31)24(19-22-11-7-4-8-12-22)28-26(32)30-17-15-29(2)16-18-30/h3-12,20,23-24,33H,13-19H2,1-2H3,(H,27,31)(H,28,32)/t20-,23+,24+/m1/s1