(phenylmethyl) (2S)-3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Openeye Name: benzyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-valeric acid benzyl ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(C(C)CC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H36N2O5/c1-5-19(3)23(29-27(32)34-18-22-15-11-8-12-16-22)25(30)28-24(20(4)6-2)26(31)33-17-21-13-9-7-10-14-21/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3,(H,28,30)(H,29,32)/t19?,20?,23?,24-/m0/s1