methyl (2S)-4-methyl-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]carbamoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]carbamoylamino]pentanoate Openeye Name: methyl (2S)-2-[[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[[[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]amino]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]carbamoylamino]pentanoate Traditional Name: (2S)-2-[[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]carbamoylamino]-4-methyl-valeric acid methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-14(2)12-16(18(25)28-6)22-19(26)23-17(13-15-10-8-7-9-11-15)24-20(27)29-21(3,4)5/h7-11,14,16-17H,12-13H2,1-6H3,(H,24,27)(H2,22,23,26)/t16-,17-/m0/s1