(2S)-3-methyl-N-[(3S)-2-oxidanylidene-5-phenyl-1-phenylmethoxy-pentan-3-yl]-2-(2-pyridin-4-ylethanoylamino)pentanamide

Systemtic Name: (2S)-3-methyl-N-[(3S)-2-oxidanylidene-5-phenyl-1-phenylmethoxy-pentan-3-yl]-2-(2-pyridin-4-ylethanoylamino)pentanamide Openeye Name: (2S)-N-[(1S)-3-benzyloxy-2-oxo-1-phenethyl-propyl]-3-methyl-2-[[2-(4-pyridyl)acetyl]amino]pentanamide CAS Name: (2S)-3-methyl-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-2-[(1-oxo-2-pyridin-4-ylethyl)amino]pentanamide IUPAC Name: (2S)-3-methyl-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-2-[(2-pyridin-4-ylacetyl)amino]pentanamide Traditional Name: (2S)-N-[(1S)-3-benzoxy-2-keto-1-phenethyl-propyl]-3-methyl-2-[[2-(4-pyridyl)acetyl]amino]valeramide Formula: C31H37N3O4 MolecularWeight: 515.64318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)COCC2=CC=CC=C2)NC(=O)CC3=CC=NC=C3

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)COCC2=CC=CC=C2)NC(=O)CC3=CC=NC=C3

InChI

InChI=1S/C31H37N3O4/c1-3-23(2)30(34-29(36)20-25-16-18-32-19-17-25)31(37)33-27(15-14-24-10-6-4-7-11-24)28(35)22-38-21-26-12-8-5-9-13-26/h4-13,16-19,23,27,30H,3,14-15,20-22H2,1-2H3,(H,33,37)(H,34,36)/t23?,27-,30-/m0/s1