N3-[(2S)-3-methyl-1-oxidanylidene-1-[[(3S)-1-oxidanyl-2-oxidanylidene-5-phenyl-pentan-3-yl]amino]pentan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: N3-[(2S)-3-methyl-1-oxidanylidene-1-[[(3S)-1-oxidanyl-2-oxidanylidene-5-phenyl-pentan-3-yl]amino]pentan-2-yl]benzene-1,3-dicarboxamide Openeye Name: N3-[(1S)-1-[[(1S)-3-hydroxy-2-oxo-1-phenethyl-propyl]carbamoyl]-2-methyl-butyl]benzene-1,3-dicarboxamide CAS Name: N3-[(2S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]benzene-1,3-dicarboxamide IUPAC Name: 3-N-[(2S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]benzene-1,3-dicarboxamide Traditional Name: N'-[(1S)-1-[[(1S)-3-hydroxy-2-keto-1-phenethyl-propyl]carbamoyl]-2-methyl-butyl]isophthalamide Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)CO)NC(=O)C2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)CO)NC(=O)C2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C25H31N3O5/c1-3-16(2)22(28-24(32)19-11-7-10-18(14-19)23(26)31)25(33)27-20(21(30)15-29)13-12-17-8-5-4-6-9-17/h4-11,14,16,20,22,29H,3,12-13,15H2,1-2H3,(H2,26,31)(H,27,33)(H,28,32)/t16?,20-,22-/m0/s1