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

Systemtic Name: 3-[(4-azanyl-4-oxidanylidene-2-propan-2-yl-butanoyl)amino]-4-oxidanylidene-5-(phenethylsulfonylamino)pentanoic acid Openeye Name: 3-[(4-amino-2-isopropyl-4-oxo-butanoyl)amino]-4-oxo-5-(phenethylsulfonylamino)pentanoic acid CAS Name: 3-[(4-amino-1,4-dioxo-2-propan-2-ylbutyl)amino]-4-oxo-5-(phenethylsulfonylamino)pentanoic acid IUPAC Name: 3-[(4-amino-4-oxo-2-propan-2-ylbutanoyl)amino]-4-oxo-5-(phenethylsulfonylamino)pentanoic acid Traditional Name: 3-[(4-amino-2-isopropyl-4-keto-butanoyl)amino]-4-keto-5-(phenethylsulfonylamino)valeric acid Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C20H29N3O7S/c1-13(2)15(10-18(21)25)20(28)23-16(11-19(26)27)17(24)12-22-31(29,30)9-8-14-6-4-3-5-7-14/h3-7,13,15-16,22H,8-12H2,1-2H3,(H2,21,25)(H,23,28)(H,26,27)