methyl 2-[(2S,3S,12R,13R)-3-[3-[2-[bis(2-azanylethyl)amino]ethylamino]-3-oxidanylidene-propyl]-7-[2,3-bis(oxidanyl)propylcarbamoyl]-17-ethanoyl-12-ethyl-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]ethanoate

Systemtic Name: methyl 2-[(2S,3S,12R,13R)-3-[3-[2-[bis(2-azanylethyl)amino]ethylamino]-3-oxidanylidene-propyl]-7-[2,3-bis(oxidanyl)propylcarbamoyl]-17-ethanoyl-12-ethyl-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]ethanoate Openeye Name: methyl 2-[(2S,3S,12R,13R)-17-acetyl-3-[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-oxo-propyl]-7-(2,3-dihydroxypropylcarbamoyl)-12-ethyl-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]acetate CAS Name: 2-[(2S,3S,12R,13R)-17-acetyl-3-[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-oxopropyl]-7-[(2,3-dihydroxypropylamino)-oxomethyl]-12-ethyl-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,3S,12R,13R)-17-acetyl-3-[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-oxopropyl]-7-(2,3-dihydroxypropylcarbamoyl)-12-ethyl-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]acetate Traditional Name: 2-[(2S,3S,12R,13R)-17-acetyl-3-[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-keto-propyl]-12-ethyl-7-(glycerylcarbamoyl)-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphin-5-yl]acetic acid methyl ester Formula: C44H63N9O7 MolecularWeight: 830.02712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2=NC1=CC3=C(C(=C(N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCCN(CCN)CCN)CC(=O)OC)C(=O)NCC(CO)O)C)C

Isomeric SMILES

CC[C@@H]1[C@H](C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCCN(CCN)CCN)CC(=O)OC)C(=O)NCC(CO)O)C)C

InChI

InChI=1S/C44H63N9O7/c1-8-29-23(2)32-20-37-40(27(6)55)25(4)34(50-37)18-33-24(3)30(9-10-38(57)47-13-16-53(14-11-45)15-12-46)42(51-33)31(17-39(58)60-7)43-41(44(59)48-21-28(56)22-54)26(5)35(52-43)19-36(29)49-32/h18-20,23-24,28-30,50,52,54,56H,8-17,21-22,45-46H2,1-7H3,(H,47,57)(H,48,59)/t23-,24+,28?,29-,30+/m1/s1