(2S)-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carbonyl)amino]-4-methyl-pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-4-methyl-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-isonipecotoyl)amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C26H39N3O6 MolecularWeight: 489.60436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C26H39N3O6/c1-17(2)16-20(21(30)27-18(3)22(31)32)28-23(33)26(19-10-8-7-9-11-19)12-14-29(15-13-26)24(34)35-25(4,5)6/h7-11,17-18,20H,12-16H2,1-6H3,(H,27,30)(H,28,33)(H,31,32)/t18-,20-/m0/s1