2-[aminocarbonyl-[12-[aminocarbonyl-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-12-oxidanylidene-dodecanoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[aminocarbonyl-[12-[aminocarbonyl-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-12-oxidanylidene-dodecanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[carbamoyl-[12-[carbamoyl-(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]-12-oxo-dodecanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[carbamoyl-[12-[carbamoyl-(2-hydroxy-2-oxo-1-phenylethyl)amino]-1,12-dioxododecyl]amino]-2-phenylacetic acid IUPAC Name: 2-[carbamoyl-[12-[carbamoyl-(2-hydroxy-2-oxo-1-phenylethyl)amino]-12-oxododecanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[carbamoyl-[12-[carbamoyl-(2-hydroxy-2-keto-1-phenyl-ethyl)amino]-12-keto-dodecanoyl]amino]-2-phenyl-acetic acid Formula: C30H38N4O8 MolecularWeight: 582.64472

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H38N4O8/c31-29(41)33(25(27(37)38)21-15-9-7-10-16-21)23(35)19-13-5-3-1-2-4-6-14-20-24(36)34(30(32)42)26(28(39)40)22-17-11-8-12-18-22/h7-12,15-18,25-26H,1-6,13-14,19-20H2,(H2,31,41)(H2,32,42)(H,37,38)(H,39,40)