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

Systemtic Name: (2R)-2-[[2-(pent-4-enoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(pent-4-enoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-(1-oxopent-4-enylamino)butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(pent-4-enoylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-(pent-4-enoylamino)butanoyl]amino]-3-phenyl-propionic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-2-3-9-16(21)19-14(10-11-25)17(22)20-15(18(23)24)12-13-7-5-4-6-8-13/h2,4-8,14-15,25H,1,3,9-12H2,(H,19,21)(H,20,22)(H,23,24)/t14?,15-/m1/s1