(phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-benzyloxy-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-benzoxy-4-keto-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C27H35N3O6/c1-18(2)14-23(27(34)36-17-21-12-8-5-9-13-21)30-26(33)22(29-25(32)19(3)28)15-24(31)35-16-20-10-6-4-7-11-20/h4-13,18-19,22-23H,14-17,28H2,1-3H3,(H,29,32)(H,30,33)/t19-,22-,23-/m0/s1