2-[[2-(4-aminophenyl)-1-(2-azanylpropanoyl)-4-cyclohexyl-pyrrolidin-2-yl]carbonyl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(4-aminophenyl)-1-(2-azanylpropanoyl)-4-cyclohexyl-pyrrolidin-2-yl]carbonyl-ethyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-aminophenyl)-1-(2-aminopropanoyl)-4-cyclohexyl-pyrrolidine-2-carbonyl]-ethyl-amino]acetic acid CAS Name: 2-[[[1-(2-amino-1-oxopropyl)-2-(4-aminophenyl)-4-cyclohexyl-2-pyrrolidinyl]-oxomethyl]-ethylamino]acetic acid IUPAC Name: 2-[[2-(4-aminophenyl)-1-(2-aminopropanoyl)-4-cyclohexylpyrrolidine-2-carbonyl]-ethylamino]acetic acid Traditional Name: 2-[[1-alanyl-2-(4-aminophenyl)-4-cyclohexyl-prolyl]-ethyl-amino]acetic acid Formula: C24H36N4O4 MolecularWeight: 444.56704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C(=O)C1(CC(CN1C(=O)C(C)N)C2CCCCC2)C3=CC=C(C=C3)N

Isomeric SMILES

CCN(CC(=O)O)C(=O)C1(CC(CN1C(=O)C(C)N)C2CCCCC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C24H36N4O4/c1-3-27(15-21(29)30)23(32)24(19-9-11-20(26)12-10-19)13-18(17-7-5-4-6-8-17)14-28(24)22(31)16(2)25/h9-12,16-18H,3-8,13-15,25-26H2,1-2H3,(H,29,30)