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

Systemtic Name: (diphenylmethyl) (2S)-3-oxidanyl-2-(pent-4-ynoylamino)propanoate Openeye Name: benzhydryl (2S)-3-hydroxy-2-(pent-4-ynoylamino)propanoate CAS Name: (2S)-3-hydroxy-2-(1-oxopent-4-ynylamino)propanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2S)-3-hydroxy-2-(pent-4-ynoylamino)propanoate Traditional Name: (2S)-3-hydroxy-2-(pent-4-ynoylamino)propionic acid benzhydryl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-2-3-14-19(24)22-18(15-23)21(25)26-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h1,4-13,18,20,23H,3,14-15H2,(H,22,24)/t18-/m0/s1