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

Systemtic Name: 2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-4-enoic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]pent-4-enoic acid CAS Name: 2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-pentenoic acid IUPAC Name: 2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-4-enoic acid Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]pent-4-enoic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-2-9-18(21(26)27)23-20(25)19(14-16-10-5-3-6-11-16)24-22(28)29-15-17-12-7-4-8-13-17/h2-8,10-13,18-19H,1,9,14-15H2,(H,23,25)(H,24,28)(H,26,27)/t18?,19-/m0/s1