3-[(2-cyanophenyl)-methylsulfonyl-amino]-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]benzamide

Systemtic Name: 3-[(2-cyanophenyl)-methylsulfonyl-amino]-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]benzamide Openeye Name: N-[(1S,2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-propyl]-3-(2-cyano-N-methylsulfonyl-anilino)benzamide CAS Name: 3-(2-cyano-N-methylsulfonylanilino)-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide IUPAC Name: 3-(2-cyano-N-methylsulfonylanilino)-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]amino]-2-hydroxy-propyl]-3-(2-cyano-N-mesyl-anilino)benzamide Formula: C34H41N5O5S MolecularWeight: 631.78484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)N(C4=CC=CC=C4C#N)S(=O)(=O)C)O

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)N(C4=CC=CC=C4C#N)S(=O)(=O)C)O

InChI

InChI=1S/C34H41N5O5S/c1-24(33(41)37-28-16-7-4-8-17-28)36-23-32(40)30(20-25-12-5-3-6-13-25)38-34(42)26-15-11-18-29(21-26)39(45(2,43)44)31-19-10-9-14-27(31)22-35/h3,5-6,9-15,18-19,21,24,28,30,32,36,40H,4,7-8,16-17,20,23H2,1-2H3,(H,37,41)(H,38,42)/t24-,30-,32+/m0/s1