2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-(thiophen-2-ylmethyl)amino]-1-phenyl-butyl]-3-methyl-2-oxidanyl-butanamide

Systemtic Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-(thiophen-2-ylmethyl)amino]-1-phenyl-butyl]-3-methyl-2-oxidanyl-butanamide Openeye Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-(2-thienylmethyl)amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butanamide CAS Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-1-oxobutyl)amino]-(thiophen-2-ylmethyl)amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide IUPAC Name: 2-acetamido-N-[4-[[(2-acetamido-3-methylbutanoyl)amino]-(thiophen-2-ylmethyl)amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide Traditional Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-(2-thenyl)amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butyramide Formula: C29H43N5O5S MolecularWeight: 573.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN(CCCC(C1=CC=CC=C1)NC(=O)C(C(C)C)(NC(=O)C)O)CC2=CC=CS2)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NN(CCCC(C1=CC=CC=C1)NC(=O)C(C(C)C)(NC(=O)C)O)CC2=CC=CS2)NC(=O)C

InChI

InChI=1S/C29H43N5O5S/c1-19(2)26(30-21(5)35)27(37)33-34(18-24-14-11-17-40-24)16-10-15-25(23-12-8-7-9-13-23)31-28(38)29(39,20(3)4)32-22(6)36/h7-9,11-14,17,19-20,25-26,39H,10,15-16,18H2,1-6H3,(H,30,35)(H,31,38)(H,32,36)(H,33,37)