5-azanyl-N-(2-azanyl-4-methyl-pentanoyl)-N-[2-(tert-butylcarbamoylamino)-3-phenyl-propanoyl]-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanamide

Systemtic Name: 5-azanyl-N-(2-azanyl-4-methyl-pentanoyl)-N-[2-(tert-butylcarbamoylamino)-3-phenyl-propanoyl]-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanamide Openeye Name: 5-amino-N-(2-amino-4-methyl-pentanoyl)-2-benzyl-N-[2-(tert-butylcarbamoylamino)-3-phenyl-propanoyl]-4-hydroxy-6-phenyl-hexanamide CAS Name: 5-amino-N-(2-amino-4-methyl-1-oxopentyl)-N-[2-[[(tert-butylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-4-hydroxy-6-phenyl-2-(phenylmethyl)hexanamide IUPAC Name: 5-amino-N-(2-amino-4-methylpentanoyl)-2-benzyl-N-[2-(tert-butylcarbamoylamino)-3-phenylpropanoyl]-4-hydroxy-6-phenylhexanamide Traditional Name: 5-amino-N-(2-amino-4-methyl-pentanoyl)-2-benzyl-N-[2-(tert-butylcarbamoylamino)-3-phenyl-propanoyl]-4-hydroxy-6-phenyl-hexanamide Formula: C39H53N5O5 MolecularWeight: 671.86862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(=O)C(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O)C(=O)C(CC3=CC=CC=C3)NC(=O)NC(C)(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(=O)C(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O)C(=O)C(CC3=CC=CC=C3)NC(=O)NC(C)(C)C)N

InChI

InChI=1S/C39H53N5O5/c1-26(2)21-32(41)36(47)44(37(48)33(24-29-19-13-8-14-20-29)42-38(49)43-39(3,4)5)35(46)30(22-27-15-9-6-10-16-27)25-34(45)31(40)23-28-17-11-7-12-18-28/h6-20,26,30-34,45H,21-25,40-41H2,1-5H3,(H2,42,43,49)