2-(butanoylamino)-3-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]-5-(3-phenylpropylsulfanyl)pentanoic acid

Systemtic Name: 2-(butanoylamino)-3-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]-5-(3-phenylpropylsulfanyl)pentanoic acid Openeye Name: 2-(butanoylamino)-3-methyl-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]-5-(3-phenylpropylsulfanyl)pentanoic acid CAS Name: 3-methyl-4-oxo-2-(1-oxobutylamino)-2-[2-oxo-2-(phenethylamino)ethyl]-5-(3-phenylpropylthio)pentanoic acid IUPAC Name: 2-(butanoylamino)-3-methyl-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]-5-(3-phenylpropylsulfanyl)pentanoic acid Traditional Name: 2-butyramido-4-keto-2-[2-keto-2-(phenethylamino)ethyl]-3-methyl-5-(3-phenylpropylthio)valeric acid Formula: C29H38N2O5S MolecularWeight: 526.68742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC(=O)NCCC1=CC=CC=C1)(C(C)C(=O)CSCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NC(CC(=O)NCCC1=CC=CC=C1)(C(C)C(=O)CSCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C29H38N2O5S/c1-3-11-26(33)31-29(28(35)36,20-27(34)30-18-17-24-14-8-5-9-15-24)22(2)25(32)21-37-19-10-16-23-12-6-4-7-13-23/h4-9,12-15,22H,3,10-11,16-21H2,1-2H3,(H,30,34)(H,31,33)(H,35,36)