(3S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-[[(2S)-4-(dimethylamino)-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanylpropan-2-yl]amino]butan-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-[[(2S)-4-(dimethylamino)-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanylpropan-2-yl]amino]butan-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-[[(1S)-3-(dimethylamino)-1-[[(1S)-2-hydroxy-1-methyl-ethyl]carbamoyl]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-4-[[(2S)-4-(dimethylamino)-1-[[(2S)-1-hydroxypropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-[[(2S)-4-(dimethylamino)-1-[[(2S)-1-hydroxypropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-[[(1S)-3-(dimethylamino)-1-[[(1S)-2-hydroxy-1-methyl-ethyl]carbamoyl]-3-keto-propyl]amino]-4-keto-2,2-dimethyl-butyric acid Formula: C22H39N5O8 MolecularWeight: 501.57376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(=O)NC(CC(=O)N(C)C)C(=O)NC(C)CO)C(C)(C)C(=O)O)NC(=O)C

Isomeric SMILES

C[C@@H](CO)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C22H39N5O8/c1-11(2)16(24-13(4)29)19(32)26-17(22(5,6)21(34)35)20(33)25-14(9-15(30)27(7)8)18(31)23-12(3)10-28/h11-12,14,16-17,28H,9-10H2,1-8H3,(H,23,31)(H,24,29)(H,25,33)(H,26,32)(H,34,35)/t12-,14-,16-,17+/m0/s1