methyl 3-methyl-2-[[3-methyl-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]butanoyl]amino]butanoate

Systemtic Name: methyl 3-methyl-2-[[3-methyl-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]butanoyl]amino]butanoate Openeye Name: methyl 2-[[2-[6-(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[3-methyl-1-oxo-2-[[1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]butyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[3-methyl-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]butanoyl]amino]butanoate Traditional Name: 2-[[2-[6-(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C25H39N3O6 MolecularWeight: 477.59366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CCCCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CCCCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H39N3O6/c1-17(2)21(23(30)28-22(18(3)4)24(31)33-5)27-20(29)14-10-7-11-15-26-25(32)34-16-19-12-8-6-9-13-19/h6,8-9,12-13,17-18,21-22H,7,10-11,14-16H2,1-5H3,(H,26,32)(H,27,29)(H,28,30)