4-azanyl-2-[[2-[(2-benzamido-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-[(2-benzamido-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[(2-benzamido-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(2-benzamido-3-mercapto-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(2-benzamido-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(2-benzamido-3-mercapto-propanoyl)amino]-3-methyl-butanoyl]amino]-4-keto-butyric acid Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O6S/c1-10(2)15(18(27)21-12(19(28)29)8-14(20)24)23-17(26)13(9-30)22-16(25)11-6-4-3-5-7-11/h3-7,10,12-13,15,30H,8-9H2,1-2H3,(H2,20,24)(H,21,27)(H,22,25)(H,23,26)(H,28,29)