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

Systemtic Name: (2R)-2-[[2-(octanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(octanoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-(1-oxooctylamino)butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(octanoylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(caprylylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-2-3-4-5-9-12-19(24)22-17(13-14-28)20(25)23-18(21(26)27)15-16-10-7-6-8-11-16/h6-8,10-11,17-18,28H,2-5,9,12-15H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t17?,18-/m1/s1