methyl (2S)-3-methyl-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]carbamoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]carbamoylamino]butanoate Openeye Name: methyl (2S)-2-[[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[[[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]amino]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]carbamoylamino]butanoate Traditional Name: (2S)-2-[[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5/c1-13(2)16(17(24)27-6)23-18(25)21-15(12-14-10-8-7-9-11-14)22-19(26)28-20(3,4)5/h7-11,13,15-16H,12H2,1-6H3,(H,22,26)(H2,21,23,25)/t15-,16-/m0/s1