methyl (2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-phenyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-phenyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-4-phenyl-butyric acid methyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O5/c1-7-15(2)18(24-21(27)29-22(3,4)5)19(25)23-17(20(26)28-6)14-13-16-11-9-8-10-12-16/h8-12,15,17-18H,7,13-14H2,1-6H3,(H,23,25)(H,24,27)/t15?,17-,18-/m0/s1