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

Systemtic Name: 3-oxidanylidene-2-[[(2S)-4-oxidanylidene-4-(phenethylamino)-2-propan-2-yl-butanoyl]amino]-4-(phenethylsulfonylamino)butanoic acid Openeye Name: 2-[[(2S)-2-isopropyl-4-oxo-4-(phenethylamino)butanoyl]amino]-3-oxo-4-(phenethylsulfonylamino)butanoic acid CAS Name: 2-[[(2S)-1,4-dioxo-4-(phenethylamino)-2-propan-2-ylbutyl]amino]-3-oxo-4-(phenethylsulfonylamino)butanoic acid IUPAC Name: 3-oxo-2-[[(2S)-4-oxo-4-(phenethylamino)-2-propan-2-ylbutanoyl]amino]-4-(phenethylsulfonylamino)butanoic acid Traditional Name: 2-[[(2S)-2-isopropyl-4-keto-4-(phenethylamino)butanoyl]amino]-3-keto-4-(phenethylsulfonylamino)butyric acid Formula: C27H35N3O7S MolecularWeight: 545.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NCCC1=CC=CC=C1)C(=O)NC(C(=O)CNS(=O)(=O)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)[C@H](CC(=O)NCCC1=CC=CC=C1)C(=O)NC(C(=O)CNS(=O)(=O)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H35N3O7S/c1-19(2)22(17-24(32)28-15-13-20-9-5-3-6-10-20)26(33)30-25(27(34)35)23(31)18-29-38(36,37)16-14-21-11-7-4-8-12-21/h3-12,19,22,25,29H,13-18H2,1-2H3,(H,28,32)(H,30,33)(H,34,35)/t22-,25?/m0/s1