(2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t16?,19-,20?/m0/s1