tert-butyl N-[(2S,3S,5R)-6-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,5R)-6-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4R)-5-[[1-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-butyl]amino]-1,4-dibenzyl-2-hydroxy-5-oxo-pentyl]carbamate CAS Name: N-[(2S,3S,5R)-6-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5R)-6-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate Traditional Name: N-[(1S,2S,4R)-5-[[1-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-butyl]amino]-1,4-dibenzyl-2-hydroxy-5-keto-pentyl]carbamic acid tert-butyl ester Formula: C38H49N5O5 MolecularWeight: 655.82616

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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(C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C38H49N5O5/c1-6-25(2)34(36(46)39-24-33-40-29-19-13-14-20-30(29)41-33)43-35(45)28(21-26-15-9-7-10-16-26)23-32(44)31(22-27-17-11-8-12-18-27)42-37(47)48-38(3,4)5/h7-20,25,28,31-32,34,44H,6,21-24H2,1-5H3,(H,39,46)(H,40,41)(H,42,47)(H,43,45)/t25?,28-,31+,32+,34?/m1/s1