1-[2-[2-[[2-(2-azanylethanoylamino)-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[[2-(2-azanylethanoylamino)-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[[2-(glycylamino)-4-(methylthio)butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]proline Formula: C20H35N5O6S MolecularWeight: 473.5868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CCSC)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CCSC)NC(=O)CN

InChI

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