4-oxidanylidene-2-[[4-oxidanylidene-4-(phenethylamino)-2-propan-2-yl-butanoyl]amino]-5-(3-phenylpropylsulfanyl)pentanoic acid

Systemtic Name: 4-oxidanylidene-2-[[4-oxidanylidene-4-(phenethylamino)-2-propan-2-yl-butanoyl]amino]-5-(3-phenylpropylsulfanyl)pentanoic acid Openeye Name: 2-[[2-isopropyl-4-oxo-4-(phenethylamino)butanoyl]amino]-4-oxo-5-(3-phenylpropylsulfanyl)pentanoic acid CAS Name: 2-[[1,4-dioxo-4-(phenethylamino)-2-propan-2-ylbutyl]amino]-4-oxo-5-(3-phenylpropylthio)pentanoic acid IUPAC Name: 4-oxo-2-[[4-oxo-4-(phenethylamino)-2-propan-2-ylbutanoyl]amino]-5-(3-phenylpropylsulfanyl)pentanoic acid Traditional Name: 2-[[2-isopropyl-4-keto-4-(phenethylamino)butanoyl]amino]-4-keto-5-(3-phenylpropylthio)valeric acid Formula: C29H38N2O5S MolecularWeight: 526.68742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O5S/c1-21(2)25(19-27(33)30-16-15-23-12-7-4-8-13-23)28(34)31-26(29(35)36)18-24(32)20-37-17-9-14-22-10-5-3-6-11-22/h3-8,10-13,21,25-26H,9,14-20H2,1-2H3,(H,30,33)(H,31,34)(H,35,36)