(phenylmethyl) 3-[[(2S,4S,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-propan-2-yl-hexanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[(2S,4S,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-propan-2-yl-hexanoyl]amino]propanoate Openeye Name: benzyl 3-[[(2S,4S,5S)-5-amino-4-hydroxy-2-isopropyl-6-phenyl-hexanoyl]amino]propanoate CAS Name: 3-[[(2S,4S,5S)-5-amino-4-hydroxy-1-oxo-6-phenyl-2-propan-2-ylhexyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-ylhexanoyl]amino]propanoate Traditional Name: 3-[[(2S,4S,5S)-5-amino-4-hydroxy-2-isopropyl-6-phenyl-hexanoyl]amino]propionic acid benzyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1=CC=CC=C1)N)O)C(=O)NCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-18(2)21(16-23(28)22(26)15-19-9-5-3-6-10-19)25(30)27-14-13-24(29)31-17-20-11-7-4-8-12-20/h3-12,18,21-23,28H,13-17,26H2,1-2H3,(H,27,30)/t21-,22-,23-/m0/s1