2-[[2-[[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[[1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]acetic acid Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CN=CN2)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C22H28N6O5/c23-16(10-15-11-24-13-26-15)22(33)28-8-4-7-18(28)21(32)27-17(20(31)25-12-19(29)30)9-14-5-2-1-3-6-14/h1-3,5-6,11,13,16-18H,4,7-10,12,23H2,(H,24,26)(H,25,31)(H,27,32)(H,29,30)