2-[2-[7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]ethoxyamino]butanedioic acid

Systemtic Name: 2-[2-[7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]ethoxyamino]butanedioic acid Openeye Name: 2-[2-[7-carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3,23,24-tetrahydroporphyrin-5-yl]ethoxyamino]butanedioic acid CAS Name: 2-[2-[7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]ethoxyamino]butanedioic acid IUPAC Name: 2-[2-[7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]ethoxyamino]butanedioic acid Traditional Name: 2-[2-[7-carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3,23,24-tetrahydroporphin-5-yl]ethoxyamino]succinic acid Formula: C38H43N5O9 MolecularWeight: 713.77612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)O)CCONC(CC(=O)O)C(=O)O)C(=O)O)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)O)CCONC(CC(=O)O)C(=O)O)C(=O)O)C

InChI

InChI=1S/C38H43N5O9/c1-7-21-17(3)25-13-27-19(5)23(9-10-32(44)45)35(41-27)24(11-12-52-43-31(37(48)49)16-33(46)47)36-34(38(50)51)20(6)28(42-36)15-30-22(8-2)18(4)26(40-30)14-29(21)39-25/h7,13-15,19,23,31,39-40,43H,1,8-12,16H2,2-6H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)