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

Systemtic Name: 2-[[2-[2-[(2-azanyl-3-methyl-3-sulfanyl-butanoyl)amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-methyl-3-sulfanyl-butanoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-3-methyl-1-oxobutyl)amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-methyl-3-sulfanylbutanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-3-methyl-butanoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C21H32N4O5S2 MolecularWeight: 484.63258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)O)C(C)(C)S)N)S

Isomeric SMILES

CC(C)(C(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)O)C(C)(C)S)N)S

InChI

InChI=1S/C21H32N4O5S2/c1-20(2,31)15(22)18(28)23-11-14(26)24-13(10-12-8-6-5-7-9-12)17(27)25-16(19(29)30)21(3,4)32/h5-9,13,15-16,31-32H,10-11,22H2,1-4H3,(H,23,28)(H,24,26)(H,25,27)(H,29,30)