(2S)-2-methyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-3H-indole-2-carboxylic acid

Systemtic Name: (2S)-2-methyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-3H-indole-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-2-methyl-indoline-2-carboxylic acid CAS Name: (2S)-2-methyl-1-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-3H-indole-2-carboxylic acid IUPAC Name: (2S)-2-methyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-3H-indole-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-2-methyl-indoline-2-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C2=CC=CC=C2CC1(C)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C2=CC=CC=C2C[C@@]1(C)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5/c1-15(2)19(24-22(29)30-14-16-9-5-4-6-10-16)20(26)25-18-12-8-7-11-17(18)13-23(25,3)21(27)28/h4-12,15,19H,13-14H2,1-3H3,(H,24,29)(H,27,28)/t19-,23-/m0/s1