tert-butyl N-[1-[[3-[3,4-bis(oxidanyl)phenyl]-1-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[3-[3,4-bis(oxidanyl)phenyl]-1-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[1-[(3,4-dihydroxyphenyl)methyl]-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamate CAS Name: N-[1-[[3-(3,4-dihydroxyphenyl)-1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[3-(3,4-dihydroxyphenyl)-1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[1-[[2-keto-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]-1-protocatechuyl-ethyl]carbamoyl]pentyl]carbamic acid tert-butyl ester Formula: C34H50N4O7 MolecularWeight: 626.7834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C34H50N4O7/c1-7-8-14-25(38-33(44)45-34(4,5)6)31(42)37-27(20-24-15-16-28(39)29(40)21-24)32(43)36-26(19-22(2)3)30(41)35-18-17-23-12-10-9-11-13-23/h9-13,15-16,21-22,25-27,39-40H,7-8,14,17-20H2,1-6H3,(H,35,41)(H,36,43)(H,37,42)(H,38,44)