(2S)-2-[2-[[(2S)-4-methyl-2-[2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoylamino]pentanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-4-methyl-2-[2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoylamino]pentanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-4-methyl-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-[[(2S)-4-methyl-1-oxo-2-[[1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]ethyl]amino]pentyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-4-methyl-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-4-methyl-2-[[2-[[(2S)-prolyl]amino]acetyl]amino]pentanoyl]amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C20H35N5O6S MolecularWeight: 473.5868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCSC)C(=O)O)NC(=O)CNC(=O)C1CCCN1

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C20H35N5O6S/c1-12(2)9-15(25-17(27)11-22-18(28)13-5-4-7-21-13)19(29)23-10-16(26)24-14(20(30)31)6-8-32-3/h12-15,21H,4-11H2,1-3H3,(H,22,28)(H,23,29)(H,24,26)(H,25,27)(H,30,31)/t13-,14-,15-/m0/s1