(2S)-2-acetamido-4-methyl-N-[(2S)-1-[[(2S,3S)-4-(4-naphthalen-1-ylpiperazin-1-yl)-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: (2S)-2-acetamido-4-methyl-N-[(2S)-1-[[(2S,3S)-4-(4-naphthalen-1-ylpiperazin-1-yl)-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: (2S)-2-acetamido-N-[(1S)-1-benzyl-2-[[(1S,2S)-1-benzyl-2-hydroxy-3-[4-(1-naphthyl)piperazin-1-yl]propyl]amino]-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[4-(1-naphthalenyl)-1-piperazinyl]-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[(1S)-1-benzyl-2-[[(1S,2S)-1-benzyl-2-hydroxy-3-[4-(1-naphthyl)piperazino]propyl]amino]-2-keto-ethyl]-4-methyl-valeramide Formula: C41H51N5O4 MolecularWeight: 677.87474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3)C4=CC=CC5=CC=CC=C54)O)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN3CCN(CC3)C4=CC=CC5=CC=CC=C54)O)NC(=O)C

InChI

InChI=1S/C41H51N5O4/c1-29(2)25-36(42-30(3)47)40(49)44-37(27-32-15-8-5-9-16-32)41(50)43-35(26-31-13-6-4-7-14-31)39(48)28-45-21-23-46(24-22-45)38-20-12-18-33-17-10-11-19-34(33)38/h4-20,29,35-37,39,48H,21-28H2,1-3H3,(H,42,47)(H,43,50)(H,44,49)/t35-,36-,37-,39-/m0/s1