2-[[1-[2-[(2-azanyl-3-phenyl-propanoyl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-[2-[(2-azanyl-3-phenyl-propanoyl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-3-phenyl-propanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-3-phenylpropanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[1-[2-(phenylalanylamino)propanoyl]prolyl]amino]butyric acid Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C22H32N4O5S/c1-14(24-19(27)16(23)13-15-7-4-3-5-8-15)21(29)26-11-6-9-18(26)20(28)25-17(22(30)31)10-12-32-2/h3-5,7-8,14,16-18H,6,9-13,23H2,1-2H3,(H,24,27)(H,25,28)(H,30,31)