N-[(3S,5R)-6-(3-bicyclo[2.2.1]heptanylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]-2-(cyclopropylmethoxy)-5-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[(3S,5R)-6-(3-bicyclo[2.2.1]heptanylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]-2-(cyclopropylmethoxy)-5-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[(2S,4R)-1-benzyl-2-hydroxy-4-methyl-5-(norbornan-2-ylamino)-5-oxo-pentyl]-2-(cyclopropylmethoxy)-5-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[(3S,5R)-6-(3-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-2-(cyclopropylmethoxy)-5-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[(3S,5R)-6-(3-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-2-(cyclopropylmethoxy)-5-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[(2S,4R)-1-benzyl-2-hydroxy-5-keto-4-methyl-5-(2-norbornylamino)pentyl]-2-(cyclopropylmethoxy)-5-(2-ketopyrrolidino)benzamide Formula: C35H45N3O5 MolecularWeight: 587.7489

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)N3CCCC3=O)OCC4CC4)O)C(=O)NC5CC6CCC5C6

Isomeric SMILES

C[C@H](C[C@@H](C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)N3CCCC3=O)OCC4CC4)O)C(=O)NC5CC6CCC5C6

InChI

InChI=1S/C35H45N3O5/c1-22(34(41)36-29-19-25-11-12-26(29)17-25)16-31(39)30(18-23-6-3-2-4-7-23)37-35(42)28-20-27(38-15-5-8-33(38)40)13-14-32(28)43-21-24-9-10-24/h2-4,6-7,13-14,20,22,24-26,29-31,39H,5,8-12,15-19,21H2,1H3,(H,36,41)(H,37,42)/t22-,25?,26?,29?,30?,31+/m1/s1