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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C1=CC=CC=C1)C(CCN(CC2=CC=CS2)NC(=O)C(C(C)C)NC(=O)C)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(C1=CC=CC=C1)C(CCN(CC2=CC=CS2)NC(=O)C(C(C)C)NC(=O)C)O)NC(=O)C

InChI

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