2-[aminocarbonyl-[13-[aminocarbonyl-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-13-oxidanylidene-tridecanoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[aminocarbonyl-[13-[aminocarbonyl-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-13-oxidanylidene-tridecanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[carbamoyl-[13-[carbamoyl-(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]-13-oxo-tridecanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[carbamoyl-[13-[carbamoyl-(2-hydroxy-2-oxo-1-phenylethyl)amino]-1,13-dioxotridecyl]amino]-2-phenylacetic acid IUPAC Name: 2-[carbamoyl-[13-[carbamoyl-(2-hydroxy-2-oxo-1-phenylethyl)amino]-13-oxotridecanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[carbamoyl-[13-[carbamoyl-(2-hydroxy-2-keto-1-phenyl-ethyl)amino]-13-keto-tridecanoyl]amino]-2-phenyl-acetic acid Formula: C31H40N4O8 MolecularWeight: 596.6713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N(C(=O)CCCCCCCCCCCC(=O)N(C(C2=CC=CC=C2)C(=O)O)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N(C(=O)CCCCCCCCCCCC(=O)N(C(C2=CC=CC=C2)C(=O)O)C(=O)N)C(=O)N

InChI

InChI=1S/C31H40N4O8/c32-30(42)34(26(28(38)39)22-16-10-8-11-17-22)24(36)20-14-6-4-2-1-3-5-7-15-21-25(37)35(31(33)43)27(29(40)41)23-18-12-9-13-19-23/h8-13,16-19,26-27H,1-7,14-15,20-21H2,(H2,32,42)(H2,33,43)(H,38,39)(H,40,41)