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

Systemtic Name: 5-azanyl-N-[2-[[4-methyl-2-(3-phenylpropanoylamino)pentanoyl]-(phenylmethyl)amino]-3-phenyl-propanoyl]-4-oxidanyl-6-phenyl-hexanamide Openeye Name: 5-amino-N-[2-[benzyl-[4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]-3-phenyl-propanoyl]-4-hydroxy-6-phenyl-hexanamide CAS Name: 5-amino-4-hydroxy-N-[2-[[4-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]pentyl]-(phenylmethyl)amino]-1-oxo-3-phenylpropyl]-6-phenylhexanamide IUPAC Name: 5-amino-N-[2-[benzyl-[4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]-3-phenylpropanoyl]-4-hydroxy-6-phenylhexanamide Traditional Name: 5-amino-N-[2-[benzyl-[2-(hydrocinnamoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]-4-hydroxy-6-phenyl-hexanamide Formula: C43H52N4O5 MolecularWeight: 704.89678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(CC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)NC(=O)CCC(C(CC3=CC=CC=C3)N)O)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)N(CC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)NC(=O)CCC(C(CC3=CC=CC=C3)N)O)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C43H52N4O5/c1-31(2)27-37(45-40(49)25-23-32-15-7-3-8-16-32)43(52)47(30-35-21-13-6-14-22-35)38(29-34-19-11-5-12-20-34)42(51)46-41(50)26-24-39(48)36(44)28-33-17-9-4-10-18-33/h3-22,31,36-39,48H,23-30,44H2,1-2H3,(H,45,49)(H,46,50,51)