2-[2-[[2-[(4-methanethioylphenyl)carbonylamino]-3-methyl-butanoyl]amino]propanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[2-[(4-methanethioylphenyl)carbonylamino]-3-methyl-butanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[2-[(4-methanethioylbenzoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[2-[[(4-methanethioylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[2-[(4-methanethioylbenzoyl)amino]-3-methylbutanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[3-methyl-2-[(4-thioformylbenzoyl)amino]butanoyl]amino]propanoylamino]succinic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C1=CC=C(C=C1)C=S

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C1=CC=C(C=C1)C=S

InChI

InChI=1S/C20H25N3O7S/c1-10(2)16(23-18(27)13-6-4-12(9-31)5-7-13)19(28)21-11(3)17(26)22-14(20(29)30)8-15(24)25/h4-7,9-11,14,16H,8H2,1-3H3,(H,21,28)(H,22,26)(H,23,27)(H,24,25)(H,29,30)