2-[[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC=O

Isomeric SMILES

CSCCC(C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC=O

InChI

InChI=1S/C20H29N3O5S2/c1-29-10-8-15(21-13-24)18(25)22-16(9-11-30-2)19(26)23-17(20(27)28)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)