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

Systemtic Name: 3-methyl-2-[[3-methyl-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]butanoyl]amino]butanoic acid Openeye Name: 2-[[2-[6-(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[3-methyl-1-oxo-2-[[1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]butyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[3-methyl-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]butanoyl]amino]butanoic acid Traditional Name: 2-[[2-[6-(benzyloxycarbonylamino)hexanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C24H37N3O6 MolecularWeight: 463.56708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O6/c1-16(2)20(22(29)27-21(17(3)4)23(30)31)26-19(28)13-9-6-10-14-25-24(32)33-15-18-11-7-5-8-12-18/h5,7-8,11-12,16-17,20-21H,6,9-10,13-15H2,1-4H3,(H,25,32)(H,26,28)(H,27,29)(H,30,31)