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

Systemtic Name: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-[methylsulfonyl(phenyl)amino]benzamide Openeye Name: N-[(1S,2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-propyl]-3-(N-methylsulfonylanilino)benzamide CAS Name: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(N-methylsulfonylanilino)benzamide IUPAC Name: N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(N-methylsulfonylanilino)benzamide Traditional Name: N-[(1S,2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]amino]-2-hydroxy-propyl]-3-(N-mesylanilino)benzamide Formula: C33H42N4O5S MolecularWeight: 606.77538

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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=C4)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=C4)S(=O)(=O)C)O

InChI

InChI=1S/C33H42N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,5-7,10-15,18-20,22,24,27,30-31,34,38H,4,8-9,16-17,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1