[3-[3-[18-[3-(3,3-diphosphonopropylamino)-3-oxidanylidene-propyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[3-[18-[3-(3,3-diphosphonopropylamino)-3-oxidanylidene-propyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[3-[18-[3-(3,3-diphosphonopropylamino)-3-oxo-propyl]-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoylamino]-1-phosphono-propyl]phosphonic acid CAS Name: [3-[[3-[18-[3-(3,3-diphosphonopropylamino)-3-oxopropyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-1-oxopropyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[3-[18-[3-(3,3-diphosphonopropylamino)-3-oxopropyl]-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[3-[18-[3-(3,3-diphosphonopropylamino)-3-keto-propyl]-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphin-2-yl]propanoylamino]-1-phosphono-propyl]phosphonic acid Formula: C40H52N6O14P4 MolecularWeight: 964.767724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C)C=C)C)C=C

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C)C=C)C)C=C

InChI

InChI=1S/C40H52N6O14P4/c1-7-25-21(3)29-17-30-23(5)27(9-11-37(47)41-15-13-39(61(49,50)51)62(52,53)54)35(45-30)20-36-28(10-12-38(48)42-16-14-40(63(55,56)57)64(58,59)60)24(6)32(46-36)19-34-26(8-2)22(4)31(44-34)18-33(25)43-29/h7-8,17-20,39-40,43-44H,1-2,9-16H2,3-6H3,(H,41,47)(H,42,48)(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)