3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid

Systemtic Name: 3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid Openeye Name: 3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-oxo-5-phenoxy-pentanoic acid CAS Name: 3-[[2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]-4-oxo-5-phenoxypentanoic acid IUPAC Name: 3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxo-5-phenoxypentanoic acid Traditional Name: 3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-keto-5-phenoxy-valeric acid Formula: C27H33N3O8 MolecularWeight: 527.56622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H33N3O8/c1-17(2)24(30-27(36)38-15-19-10-6-4-7-11-19)26(35)28-18(3)25(34)29-21(14-23(32)33)22(31)16-37-20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,36)(H,32,33)