(2S)-2-[[(2S)-2-[[3-methyl-1-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]butyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[3-methyl-1-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]butyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[3-methyl-1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[3-methyl-1-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]butyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[3-methyl-1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[1-[[(2S)-5-ketoprolyl]amino]-3-methyl-butyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C24H36N4O5S MolecularWeight: 492.63144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O)NC(=O)C2CCC(=O)N2

Isomeric SMILES

CC(C)CC(N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@@H]2CCC(=O)N2

InChI

InChI=1S/C24H36N4O5S/c1-15(2)13-20(28-22(30)17-9-10-21(29)26-17)25-19(14-16-7-5-4-6-8-16)23(31)27-18(24(32)33)11-12-34-3/h4-8,15,17-20,25H,9-14H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)(H,32,33)/t17-,18-,19-,20?/m0/s1