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

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate; manganese(2+) Openeye Name: manganous (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoate; manganese(2+) IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate; manganese(2+) Traditional Name: manganous (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate Formula: C30H50MnN12O8 MolecularWeight: 761.731649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)[O-])N.CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)[O-])N.[Mn+2]

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)[O-])N.C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)[O-])N.[Mn+2]

InChI

InChI=1S/2C15H26N6O4.Mn/c2*1-9(17)13(22)21-12(6-10-7-18-8-19-10)14(23)20-11(15(24)25)4-2-3-5-16;/h2*7-9,11-12H,2-6,16-17H2,1H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25);/q;;+2/p-2/t2*9-,11-,12-;/m00./s1