(2R)-2-[[2-(4-oxidanylidenepentanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(4-oxidanylidenepentanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(4-oxopentanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-(1,4-dioxopentylamino)-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(4-oxopentanoylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(4-ketopentanoylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)NC(CCS)C(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)CCC(=O)NC(CCS)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c1-12(21)7-8-16(22)19-14(9-10-26)17(23)20-15(18(24)25)11-13-5-3-2-4-6-13/h2-6,14-15,26H,7-11H2,1H3,(H,19,22)(H,20,23)(H,24,25)/t14?,15-/m1/s1