tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidin-2-yl]carbonylamino]propanoyl]amino]pentanoate

Systemtic Name: tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidin-2-yl]carbonylamino]propanoyl]amino]pentanoate Openeye Name: tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]pentanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-piperidinyl]methyl]amino]-3-phenylpropyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]pentanoate Traditional Name: (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-pipecoloyl]amino]propanoyl]amino]valeric acid tert-butyl ester Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCCN2

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCCN2

InChI

InChI=1S/C25H39N3O4/c1-6-17(2)21(24(31)32-25(3,4)5)28-23(30)20(16-18-12-8-7-9-13-18)27-22(29)19-14-10-11-15-26-19/h7-9,12-13,17,19-21,26H,6,10-11,14-16H2,1-5H3,(H,27,29)(H,28,30)/t17?,19-,20-,21-/m0/s1