(2S)-1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-N-[(2S)-1-[[(E,3S)-2-methyl-6-oxidanylidene-6-[[(1S)-1-phenylethyl]amino]hex-4-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidine-2-carboxamide

Systemtic Name: (2S)-1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-N-[(2S)-1-[[(E,3S)-2-methyl-6-oxidanylidene-6-[[(1S)-1-phenylethyl]amino]hex-4-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-[[(E,1S)-1-isopropyl-4-oxo-4-[[(1S)-1-phenylethyl]amino]but-2-enyl]amino]-2-oxo-ethyl]-1-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperidine-2-carboxamide CAS Name: (2S)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-N-[(2S)-1-[[(E,3S)-2-methyl-6-oxo-6-[[(1S)-1-phenylethyl]amino]hex-4-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-piperidinecarboxamide IUPAC Name: (2S)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-N-[(2S)-1-[[(E,3S)-2-methyl-6-oxo-6-[[(1S)-1-phenylethyl]amino]hex-4-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-[[(E,1S)-1-isopropyl-4-keto-4-[[(1S)-1-phenylethyl]amino]but-2-enyl]amino]-2-keto-ethyl]-1-[2-keto-2-(3-methoxyphenyl)ethyl]pipecolinamide Formula: C39H48N4O5 MolecularWeight: 652.82222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CC(=O)NC(C)C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCN3CC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)/C=C/[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCCN3CC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C39H48N4O5/c1-27(2)33(21-22-37(45)40-28(3)30-16-9-6-10-17-30)41-38(46)34(24-29-14-7-5-8-15-29)42-39(47)35-20-11-12-23-43(35)26-36(44)31-18-13-19-32(25-31)48-4/h5-10,13-19,21-22,25,27-28,33-35H,11-12,20,23-24,26H2,1-4H3,(H,40,45)(H,41,46)(H,42,47)/b22-21+/t28-,33+,34-,35-/m0/s1