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

Systemtic Name: 2-[[(2S)-4-azanyl-4-oxidanylidene-2-propan-2-yl-butanoyl]amino]-3-oxidanylidene-4-(phenethylsulfonylamino)butanoic acid Openeye Name: 2-[[(2S)-4-amino-2-isopropyl-4-oxo-butanoyl]amino]-3-oxo-4-(phenethylsulfonylamino)butanoic acid CAS Name: 2-[[(2S)-4-amino-1,4-dioxo-2-propan-2-ylbutyl]amino]-3-oxo-4-(phenethylsulfonylamino)butanoic acid IUPAC Name: 2-[[(2S)-4-amino-4-oxo-2-propan-2-ylbutanoyl]amino]-3-oxo-4-(phenethylsulfonylamino)butanoic acid Traditional Name: 2-[[(2S)-4-amino-2-isopropyl-4-keto-butanoyl]amino]-3-keto-4-(phenethylsulfonylamino)butyric acid Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](CC(=O)N)C(=O)NC(C(=O)CNS(=O)(=O)CCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C19H27N3O7S/c1-12(2)14(10-16(20)24)18(25)22-17(19(26)27)15(23)11-21-30(28,29)9-8-13-6-4-3-5-7-13/h3-7,12,14,17,21H,8-11H2,1-2H3,(H2,20,24)(H,22,25)(H,26,27)/t14-,17?/m0/s1