methyl (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butyric acid methyl ester Formula: C28H37N3O7 MolecularWeight: 527.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O7/c1-20(2)24(26(33)36-3)31-25(32)23(30-28(35)38-19-22-14-8-5-9-15-22)16-10-11-17-29-27(34)37-18-21-12-6-4-7-13-21/h4-9,12-15,20,23-24H,10-11,16-19H2,1-3H3,(H,29,34)(H,30,35)(H,31,32)/t23?,24-/m0/s1