(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-5-cyclohexyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-5-cyclohexyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-amino-4-benzyloxy-4-oxo-butanoyl]amino]-5-cyclohexyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-1,4-dioxo-4-phenylmethoxybutyl]amino]-5-cyclohexylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]-5-cyclohexylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-4-benzoxy-4-keto-butanoyl]amino]-5-cyclohexyl-valeric acid benzyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)CCC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](CC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C29H38N2O5/c30-25(19-27(32)35-20-23-13-6-2-7-14-23)28(33)31-26(18-10-17-22-11-4-1-5-12-22)29(34)36-21-24-15-8-3-9-16-24/h2-3,6-9,13-16,22,25-26H,1,4-5,10-12,17-21,30H2,(H,31,33)/t25-,26-/m0/s1