(2R)-N-[(2R)-6-azanyl-1-oxidanylidene-1-[4-(phenylcarbonyl)piperazin-1-yl]hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2R)-N-[(2R)-6-azanyl-1-oxidanylidene-1-[4-(phenylcarbonyl)piperazin-1-yl]hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide Openeye Name: (2R)-N-[(1R)-5-amino-1-(4-benzoylpiperazine-1-carbonyl)pentyl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: (2R)-N-[(2R)-6-amino-1-(4-benzoyl-1-piperazinyl)-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide IUPAC Name: (2R)-N-[(2R)-6-amino-1-(4-benzoylpiperazin-1-yl)-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide Traditional Name: (2R)-N-[(1R)-5-amino-1-(4-benzoylpiperazine-1-carbonyl)pentyl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeramide Formula: C41H55N7O5 MolecularWeight: 725.9193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C41H55N7O5/c1-29(2)26-35(46-39(51)36(28-31-16-8-4-9-17-31)45-37(49)33(43)27-30-14-6-3-7-15-30)38(50)44-34(20-12-13-21-42)41(53)48-24-22-47(23-25-48)40(52)32-18-10-5-11-19-32/h3-11,14-19,29,33-36H,12-13,20-28,42-43H2,1-2H3,(H,44,50)(H,45,49)(H,46,51)/t33-,34-,35-,36-/m1/s1