2-[[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-[(E)-5-phenylpent-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-[(E)-5-phenylpent-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(E)-5-phenylpent-2-enoyl]amino]acetic acid CAS Name: 2-[[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-[(E)-1-oxo-5-phenylpent-2-enyl]amino]acetic acid IUPAC Name: 2-[[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-[(E)-5-phenylpent-2-enoyl]amino]acetic acid Traditional Name: 2-[[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(E)-5-phenylpent-2-enoyl]amino]acetic acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN(CC(=O)O)C(=O)C=CCCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NN(CC(=O)O)C(=O)/C=C/CCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H31N3O6/c1-19(2)24(27-26(34)35-18-21-14-7-4-8-15-21)25(33)28-29(17-23(31)32)22(30)16-10-9-13-20-11-5-3-6-12-20/h3-8,10-12,14-16,19,24H,9,13,17-18H2,1-2H3,(H,27,34)(H,28,33)(H,31,32)/b16-10+