2-bromanyl-2,4-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenethyl-5-phenyl-pentanoic acid

Systemtic Name: 2-bromanyl-2,4-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenethyl-5-phenyl-pentanoic acid Openeye Name: 2,4-bis[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-bromo-3-phenethyl-5-phenyl-pentanoic acid CAS Name: 2-bromo-2,4-bis[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenethyl-5-phenylpentanoic acid IUPAC Name: 2-bromo-2,4-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenethyl-5-phenylpentanoic acid Traditional Name: 2,4-bis[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-bromo-3-phenethyl-5-phenyl-valeric acid Formula: C45H53BrN4O8 MolecularWeight: 857.82832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CCC2=CC=CC=C2)C(C(=O)O)(NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)Br)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CCC2=CC=CC=C2)C(C(=O)O)(NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)Br)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C45H53BrN4O8/c1-30(2)38(48-43(55)57-28-34-21-13-7-14-22-34)40(51)47-37(27-33-19-11-6-12-20-33)36(26-25-32-17-9-5-10-18-32)45(46,42(53)54)50-41(52)39(31(3)4)49-44(56)58-29-35-23-15-8-16-24-35/h5-24,30-31,36-39H,25-29H2,1-4H3,(H,47,51)(H,48,55)(H,49,56)(H,50,52)(H,53,54)