3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-4-enoic acid

Systemtic Name: 3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-4-enoic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-pent-4-enoic acid CAS Name: 3-methyl-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-pentenoic acid IUPAC Name: 3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-4-enoic acid Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-pent-4-enoic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C=C)C(C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O5/c1-3-16(2)20(22(27)28)25-21(26)19(14-17-10-6-4-7-11-17)24-23(29)30-15-18-12-8-5-9-13-18/h3-13,16,19-20H,1,14-15H2,2H3,(H,24,29)(H,25,26)(H,27,28)/t16?,19-,20?/m0/s1