(2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]pentanoic acid

Systemtic Name: (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]pentanoic acid Openeye Name: (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]pentanoic acid CAS Name: (2R)-4-methyl-2-[[(2S)-2-(octylamino)-1-oxo-3-phenylpropyl]amino]pentanoic acid IUPAC Name: (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenylpropanoyl]amino]pentanoic acid Traditional Name: (2R)-4-methyl-2-[[(2S)-2-(octylamino)-3-phenyl-propanoyl]amino]valeric acid Formula: C23H38N2O3 MolecularWeight: 390.55942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCN[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(=O)O

InChI

InChI=1S/C23H38N2O3/c1-4-5-6-7-8-12-15-24-20(17-19-13-10-9-11-14-19)22(26)25-21(23(27)28)16-18(2)3/h9-11,13-14,18,20-21,24H,4-8,12,15-17H2,1-3H3,(H,25,26)(H,27,28)/t20-,21+/m0/s1