2-[[1-[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]propanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]propanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[2-[2-[2-(alanylamino)propanoylamino]propanoylamino]propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C26H38N6O7 MolecularWeight: 546.61592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N6O7/c1-14(27)21(33)28-15(2)22(34)29-16(3)23(35)30-17(4)25(37)32-12-8-11-20(32)24(36)31-19(26(38)39)13-18-9-6-5-7-10-18/h5-7,9-10,14-17,19-20H,8,11-13,27H2,1-4H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)(H,38,39)