(2S)-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate; manganese(2+)

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate; manganese(2+) Openeye Name: manganous (2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoate; manganese(2+) IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate; manganese(2+) Traditional Name: manganous (2S)-6-amino-2-[[(2S)-2-(glycylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate Formula: C28H46MnN12O8 MolecularWeight: 733.678489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)[O-])NC(=O)CN.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)[O-])NC(=O)CN.[Mn+2]

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)[O-])NC(=O)CN.C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)[O-])NC(=O)CN.[Mn+2]

InChI

InChI=1S/2C14H24N6O4.Mn/c2*15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h2*7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);/q;;+2/p-2/t2*10-,11-;/m00./s1