(phenylmethyl) (2S)-2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C30H40N2O7S MolecularWeight: 572.7128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

InChI

InChI=1S/C30H40N2O7S/c1-21(2)17-26(28(34)38-20-24-15-11-8-12-16-24)31-27(33)25(18-23-13-9-7-10-14-23)32-29(35)39-19-22(3)40(36,37)30(4,5)6/h7-16,21,25-26H,3,17-20H2,1-2,4-6H3,(H,31,33)(H,32,35)/t25-,26-/m0/s1