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

Systemtic Name: 2-[[1-[2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-3-phenyl-propanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[1-[2-(phenylalanylamino)acetyl]prolyl]amino]butyric acid Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C21H30N4O5S/c1-31-11-9-16(21(29)30)24-20(28)17-8-5-10-25(17)18(26)13-23-19(27)15(22)12-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13,22H2,1H3,(H,23,27)(H,24,28)(H,29,30)