(2S)-2-azanyl-6-(quinazolin-4-ylamino)hexanoic acid; copper

Systemtic Name: (2S)-2-azanyl-6-(quinazolin-4-ylamino)hexanoic acid; copper Openeye Name: (2S)-2-amino-6-(quinazolin-4-ylamino)hexanoic acid; copper CAS Name: (2S)-2-amino-6-(4-quinazolinylamino)hexanoic acid; copper IUPAC Name: (2S)-2-amino-6-(quinazolin-4-ylamino)hexanoic acid; copper Traditional Name: (2S)-2-amino-6-(quinazolin-4-ylamino)hexanoic acid; copper Formula: C28H36CuN8O4 MolecularWeight: 612.18264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NCCCCC(C(=O)O)N.C1=CC=C2C(=C1)C(=NC=N2)NCCCCC(C(=O)O)N.[Cu]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NCCCC[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=NC=N2)NCCCC[C@@H](C(=O)O)N.[Cu]

InChI

InChI=1S/2C14H18N4O2.Cu/c2*15-11(14(19)20)6-3-4-8-16-13-10-5-1-2-7-12(10)17-9-18-13;/h2*1-2,5,7,9,11H,3-4,6,8,15H2,(H,19,20)(H,16,17,18);/t2*11-;/m00./s1