(phenylmethyl) (2S)-4-methyl-2-[[2-methyl-3-[[(1S)-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-phenyl-ethyl]amino]-3-oxidanylidene-propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) (2S)-4-methyl-2-[[2-methyl-3-[[(1S)-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-phenyl-ethyl]amino]-3-oxidanylidene-propanoyl]amino]pentanoate Openeye Name: benzyl (2S)-2-[[3-[[(1S)-1-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-ethyl]amino]-2-methyl-3-oxo-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[2-methyl-3-[[(1S)-1-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-2-phenylethyl]amino]-1,3-dioxopropyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-methyl-2-[[2-methyl-3-[[(1S)-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-phenylethyl]amino]-3-oxopropanoyl]amino]pentanoate Traditional Name: (2S)-2-[[3-[[(1S)-1-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-ethyl]amino]-3-keto-2-methyl-propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C35H50N4O7 MolecularWeight: 638.7941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)C(=O)NC(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(C)C(=O)N[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H50N4O7/c1-22(2)19-27(33(43)45-21-26-17-13-10-14-18-26)36-30(40)24(5)31(41)37-28(20-25-15-11-9-12-16-25)38-32(42)29(23(3)4)39-34(44)46-35(6,7)8/h9-18,22-24,27-29H,19-21H2,1-8H3,(H,36,40)(H,37,41)(H,38,42)(H,39,44)/t24?,27-,28-,29-/m0/s1