(phenylmethyl) (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-[[(2S)-5-tert-butoxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-tert-butoxy-2-(tert-butoxycarbonylamino)-5-keto-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C36H51N3O9 MolecularWeight: 669.80484

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H51N3O9/c1-23(2)20-29(33(44)46-22-25-12-10-9-11-13-25)38-32(43)28(21-24-14-16-26(40)17-15-24)37-31(42)27(39-34(45)48-36(6,7)8)18-19-30(41)47-35(3,4)5/h9-17,23,27-29,40H,18-22H2,1-8H3,(H,37,42)(H,38,43)(H,39,45)/t27-,28-,29-/m0/s1