5-azanyl-4-[[4-[(4-methoxyphenyl)carbamoylamino]-1-(2-methylsulfanylethanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[[4-[(4-methoxyphenyl)carbamoylamino]-1-(2-methylsulfanylethanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[[4-[(4-methoxyphenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[[4-[[(4-methoxyanilino)-oxomethyl]amino]-1-[2-(methylthio)-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[[4-[(4-methoxyphenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-4-[[4-[(4-methoxyphenyl)carbamoylamino]-1-[2-(methylthio)acetyl]prolyl]amino]valeric acid Formula: C21H29N5O7S MolecularWeight: 495.54926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2CC(N(C2)C(=O)CSC)C(=O)NC(CCC(=O)O)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2CC(N(C2)C(=O)CSC)C(=O)NC(CCC(=O)O)C(=O)N

InChI

InChI=1S/C21H29N5O7S/c1-33-14-5-3-12(4-6-14)23-21(32)24-13-9-16(26(10-13)17(27)11-34-2)20(31)25-15(19(22)30)7-8-18(28)29/h3-6,13,15-16H,7-11H2,1-2H3,(H2,22,30)(H,25,31)(H,28,29)(H2,23,24,32)