(phenylmethyl) (2R)-2-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]amino]-4-phenyl-butan-2-yl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]amino]-4-phenyl-butan-2-yl]amino]propanoate Openeye Name: benzyl (2R)-2-[[(1S)-1-[[(1R)-2-anilino-1-methyl-2-oxo-ethyl]carbamoyl]-3-phenyl-propyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-1-[[(2R)-1-anilino-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-1-[[(2R)-1-anilino-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoate Traditional Name: (2R)-2-[[(1S)-1-[[(1R)-2-anilino-2-keto-1-methyl-ethyl]carbamoyl]-3-phenyl-propyl]amino]propionic acid benzyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCC2=CC=CC=C2)NC(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](CCC2=CC=CC=C2)N[C@H](C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O4/c1-21(27(33)32-25-16-10-5-11-17-25)31-28(34)26(19-18-23-12-6-3-7-13-23)30-22(2)29(35)36-20-24-14-8-4-9-15-24/h3-17,21-22,26,30H,18-20H2,1-2H3,(H,31,34)(H,32,33)/t21-,22-,26+/m1/s1