(2S)-3-[4-(2-adamantyloxycarbonyloxy)phenyl]-2-azanyl-propanoic acid; copper

Systemtic Name: (2S)-3-[4-(2-adamantyloxycarbonyloxy)phenyl]-2-azanyl-propanoic acid; copper Openeye Name: (2S)-3-[4-(2-adamantyloxycarbonyloxy)phenyl]-2-amino-propanoic acid; copper CAS Name: (2S)-3-[4-[2-adamantyloxy(oxo)methoxy]phenyl]-2-aminopropanoic acid; copper IUPAC Name: (2S)-3-[4-(2-adamantyloxycarbonyloxy)phenyl]-2-aminopropanoic acid; copper Traditional Name: (2S)-3-[4-(2-adamantyloxycarbonyloxy)phenyl]-2-amino-propionic acid; copper Formula: C40H50CuN2O10 MolecularWeight: 782.3784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)OC4=CC=C(C=C4)CC(C(=O)O)N.C1C2CC3CC1CC(C2)C3OC(=O)OC4=CC=C(C=C4)CC(C(=O)O)N.[Cu]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)OC4=CC=C(C=C4)C[C@@H](C(=O)O)N.C1C2CC3CC1CC(C2)C3OC(=O)OC4=CC=C(C=C4)C[C@@H](C(=O)O)N.[Cu]

InChI

InChI=1S/2C20H25NO5.Cu/c2*21-17(19(22)23)10-11-1-3-16(4-2-11)25-20(24)26-18-14-6-12-5-13(8-14)9-15(18)7-12;/h2*1-4,12-15,17-18H,5-10,21H2,(H,22,23);/t2*12?,13?,14?,15?,17-,18?;/m00./s1