N-tert-butyl-1-[2-oxidanyl-3-[(5S)-2-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-imidazolidin-1-yl]propyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[2-oxidanyl-3-[(5S)-2-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-imidazolidin-1-yl]propyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: 1-[3-[(5S)-3-allyl-5-benzyl-2-oxo-imidazolidin-1-yl]-2-hydroxy-propyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-3-[(5S)-2-oxo-5-(phenylmethyl)-3-prop-2-enyl-1-imidazolidinyl]propyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: 1-[3-[(5S)-5-benzyl-2-oxo-3-prop-2-enylimidazolidin-1-yl]-2-hydroxypropyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: 1-[3-[(5S)-3-allyl-5-benzyl-2-keto-imidazolidin-1-yl]-2-hydroxy-propyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C31H44N6O3 MolecularWeight: 548.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CN2C(CN(C2=O)CC=C)CC3=CC=CC=C3)O)CC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1CN(CCN1CC(CN2[C@H](CN(C2=O)CC=C)CC3=CC=CC=C3)O)CC4=CN=CC=C4

InChI

InChI=1S/C31H44N6O3/c1-5-14-36-20-26(17-24-10-7-6-8-11-24)37(30(36)40)22-27(38)21-35-16-15-34(19-25-12-9-13-32-18-25)23-28(35)29(39)33-31(2,3)4/h5-13,18,26-28,38H,1,14-17,19-23H2,2-4H3,(H,33,39)/t26-,27?,28?/m0/s1