2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]-phenethyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]-phenethyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]-phenethyl-amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-methyl-1-oxobutyl]-phenethylamino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]-phenethylamino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-methyl-butanoyl]-phenethyl-amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C23H36N4O5S2 MolecularWeight: 512.68574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CCC1=CC=CC=C1)CC(=O)NC(CCSC)C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

CC(C)C(C(=O)N(CCC1=CC=CC=C1)CC(=O)NC(CCSC)C(=O)O)NC(=O)C(CS)N

InChI

InChI=1S/C23H36N4O5S2/c1-15(2)20(26-21(29)17(24)14-33)22(30)27(11-9-16-7-5-4-6-8-16)13-19(28)25-18(23(31)32)10-12-34-3/h4-8,15,17-18,20,33H,9-14,24H2,1-3H3,(H,25,28)(H,26,29)(H,31,32)