bis(azanyl)methylidene-[3-[(5R,8S,11R,12S,15S,18S,19S,22R)-11,22-dicarboxy-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacos-15-yl]propyl]azanium

Systemtic Name: bis(azanyl)methylidene-[3-[(5R,8S,11R,12S,15S,18S,19S,22R)-11,22-dicarboxy-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacos-15-yl]propyl]azanium Openeye Name: diaminomethylene-[3-[(5R,8S,11R,12S,15S,18S,19S,22R)-11,22-dicarboxy-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacos-15-yl]propyl]ammonium CAS Name: diaminomethylidene-[3-[(5R,8S,11R,12S,15S,18S,19S,22R)-11,22-dicarboxy-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacos-15-yl]propyl]ammonium IUPAC Name: diaminomethylidene-[3-[(5R,8S,11R,12S,15S,18S,19S,22R)-11,22-dicarboxy-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacos-15-yl]propyl]azanium Traditional Name: diaminomethylene-[3-[(5R,8S,11R,12S,15S,18S,19S,22R)-11,22-dicarboxy-8-isobutyl-3,6,9,13,16,20,25-heptaketo-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-1,4,7,10,14,17,21-heptazacyclopentacos-15-yl]propyl]ammonium Formula: C49H75N10O12+ MolecularWeight: 996.1796

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCC[NH+]=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C

Isomeric SMILES

C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCC[NH+]=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C

InChI

InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/p+1/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1