(diphenylmethyl) (2S)-2-(pent-4-ynoylamino)-3-phenyl-propanoate

Systemtic Name: (diphenylmethyl) (2S)-2-(pent-4-ynoylamino)-3-phenyl-propanoate Openeye Name: benzhydryl (2S)-2-(pent-4-ynoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(1-oxopent-4-ynylamino)-3-phenylpropanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2S)-2-(pent-4-ynoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(pent-4-ynoylamino)-3-phenyl-propionic acid benzhydryl ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(=O)NC(CC1=CC=CC=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C#CCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H25NO3/c1-2-3-19-25(29)28-24(20-21-13-7-4-8-14-21)27(30)31-26(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h1,4-18,24,26H,3,19-20H2,(H,28,29)/t24-/m0/s1