(2R,6R)-N-[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-N'-(2-methylpropyl)-4-oxidanyl-2,6-bis(phenylmethyl)heptanediamide

Systemtic Name: (2R,6R)-N-[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-N'-(2-methylpropyl)-4-oxidanyl-2,6-bis(phenylmethyl)heptanediamide Openeye Name: (2R,6R)-N-[(1S,2S)-1-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-butyl]-2,6-dibenzyl-4-hydroxy-N'-isobutyl-heptanediamide CAS Name: (2R,6R)-N-[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-hydroxy-N'-(2-methylpropyl)-2,6-bis(phenylmethyl)heptanediamide IUPAC Name: (2R,6R)-N-[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-2,6-dibenzyl-4-hydroxy-N'-(2-methylpropyl)heptanediamide Traditional Name: (2R,6R)-N-[(1S,2S)-1-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-butyl]-2,6-dibenzyl-4-hydroxy-N'-isobutyl-pimelamide Formula: C39H51N5O4 MolecularWeight: 653.85334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)C(CC3=CC=CC=C3)CC(CC(CC4=CC=CC=C4)C(=O)NCC(C)C)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](CC3=CC=CC=C3)CC(C[C@@H](CC4=CC=CC=C4)C(=O)NCC(C)C)O

InChI

InChI=1S/C39H51N5O4/c1-5-27(4)36(39(48)41-25-35-42-33-18-12-13-19-34(33)43-35)44-38(47)31(21-29-16-10-7-11-17-29)23-32(45)22-30(37(46)40-24-26(2)3)20-28-14-8-6-9-15-28/h6-19,26-27,30-32,36,45H,5,20-25H2,1-4H3,(H,40,46)(H,41,48)(H,42,43)(H,44,47)/t27-,30+,31+,32?,36-/m0/s1