(phenylmethyl) N-[(2S)-1-oxidanylidene-6-(3-oxidanylidenepentanoylamino)-1-phenylazanyl-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-6-(3-oxidanylidenepentanoylamino)-1-phenylazanyl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-(3-oxopentanoylamino)-1-(phenylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-anilino-6-(1,3-dioxopentylamino)-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-1-oxo-6-(3-oxopentanoylamino)hexan-2-yl]carbamate Traditional Name: N-[(1S)-5-(3-ketopentanoylamino)-1-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)CC(=O)NCCCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O5/c1-2-21(29)17-23(30)26-16-10-9-15-22(24(31)27-20-13-7-4-8-14-20)28-25(32)33-18-19-11-5-3-6-12-19/h3-8,11-14,22H,2,9-10,15-18H2,1H3,(H,26,30)(H,27,31)(H,28,32)/t22-/m0/s1