3-(2-cyclopropylethyl)-N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-oxidanyl-1-phenyl-butan-2-yl]benzamide

Systemtic Name: 3-(2-cyclopropylethyl)-N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-oxidanyl-1-phenyl-butan-2-yl]benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(1,1,5-trimethylhexylamino)propyl]-3-(2-cyclopropylethyl)benzamide CAS Name: 3-(2-cyclopropylethyl)-N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]benzamide IUPAC Name: 3-(2-cyclopropylethyl)-N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(1,1,5-trimethylhexylamino)propyl]-3-(2-cyclopropylethyl)benzamide Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(C)NCC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CCC3CC3)O

Isomeric SMILES

CC(C)CCCC(C)(C)NC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CCC3CC3)O

InChI

InChI=1S/C31H46N2O2/c1-23(2)10-9-19-31(3,4)32-22-29(34)28(21-25-11-6-5-7-12-25)33-30(35)27-14-8-13-26(20-27)18-17-24-15-16-24/h5-8,11-14,20,23-24,28-29,32,34H,9-10,15-19,21-22H2,1-4H3,(H,33,35)/t28-,29+/m0/s1