N-[(3S)-3-azanyl-4-oxidanyl-butyl]-N-[(1R)-2,2-dimethyl-1-[4-phenyl-1-(phenylmethyl)imidazol-2-yl]propyl]-4-methylsulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3S)-3-azanyl-4-oxidanyl-butyl]-N-[(1R)-2,2-dimethyl-1-[4-phenyl-1-(phenylmethyl)imidazol-2-yl]propyl]-4-methylsulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3S)-3-amino-4-hydroxy-butyl]-N-[(1R)-1-(1-benzyl-4-phenyl-imidazol-2-yl)-2,2-dimethyl-propyl]-4-methylsulfonyl-piperazine-1-carboxamide CAS Name: N-[(3S)-3-amino-4-hydroxybutyl]-N-[(1R)-2,2-dimethyl-1-[4-phenyl-1-(phenylmethyl)-2-imidazolyl]propyl]-4-methylsulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3S)-3-amino-4-hydroxybutyl]-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-4-methylsulfonylpiperazine-1-carboxamide Traditional Name: N-[(3S)-3-amino-4-hydroxy-butyl]-N-[(1R)-1-(1-benzyl-4-phenyl-imidazol-2-yl)-2,2-dimethyl-propyl]-4-mesyl-piperazine-1-carboxamide Formula: C31H44N6O4S MolecularWeight: 596.78386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC(=CN1CC2=CC=CC=C2)C3=CC=CC=C3)N(CCC(CO)N)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)[C@H](C1=NC(=CN1CC2=CC=CC=C2)C3=CC=CC=C3)N(CC[C@@H](CO)N)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C31H44N6O4S/c1-31(2,3)28(37(16-15-26(32)23-38)30(39)34-17-19-36(20-18-34)42(4,40)41)29-33-27(25-13-9-6-10-14-25)22-35(29)21-24-11-7-5-8-12-24/h5-14,22,26,28,38H,15-21,23,32H2,1-4H3/t26-,28-/m0/s1