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

Systemtic Name: methyl (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylpentanoate Traditional Name: (2S)-2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]-3-methyl-valeric acid methyl ester Formula: C29H39N3O7 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O7/c1-4-21(2)25(27(34)37-3)32-26(33)24(31-29(36)39-20-23-15-9-6-10-16-23)17-11-12-18-30-28(35)38-19-22-13-7-5-8-14-22/h5-10,13-16,21,24-25H,4,11-12,17-20H2,1-3H3,(H,30,35)(H,31,36)(H,32,33)/t21?,24?,25-/m0/s1