calcium 6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6-methyl-11-oxidanidyl-6,10,12a-tris(oxidanyl)-1,3,12-tris(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-oxidanyl-methyl]amino]methylamino]-2-azanyl-hexanoate

Systemtic Name: calcium 6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6-methyl-11-oxidanidyl-6,10,12a-tris(oxidanyl)-1,3,12-tris(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-oxidanyl-methyl]amino]methylamino]-2-azanyl-hexanoate Openeye Name: calcium 6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-11-oxido-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methylamino]-2-amino-hexanoate CAS Name: calcium 6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-11-oxido-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methylamino]-2-aminohexanoate IUPAC Name: calcium 6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-11-oxido-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methylamino]-2-aminohexanoate Traditional Name: calcium 6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,12a-trihydroxy-1,3,12-triketo-6-methyl-11-oxido-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methylamino]-2-amino-hexanoate Formula: C29H36CaN4O10 MolecularWeight: 640.69494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3C(C(=O)C(=C(NCNCCCCC(C(=O)[O-])N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)N(C)C)O.[Ca+2]

Isomeric SMILES

C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\NCNCCCCC(C(=O)[O-])N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)N(C)C)O.[Ca+2]

InChI

InChI=1S/C29H38N4O10.Ca/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41;/h6-7,9,14-16,21,31-32,34-35,39,42-43H,4-5,8,10-12,30H2,1-3H3,(H,40,41);/q;+2/p-2/b26-20-;/t14-,15-,16?,21-,28+,29-;/m0./s1