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

Systemtic Name: (2R)-2-[[2-(3-methylbutanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(3-methylbutanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(3-methylbutanoylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(isovalerylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-12(2)10-16(21)19-14(8-9-25)17(22)20-15(18(23)24)11-13-6-4-3-5-7-13/h3-7,12,14-15,25H,8-11H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t14?,15-/m1/s1