methyl 2-[(2S,3S,12R,13R)-3-[3-(2-azanylethylamino)-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-azanylethylamino)-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-aminoethylamino)-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-aminoethylamino)-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-aminoethylamino)-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-aminoethylamino)-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: C40H53N7O7 MolecularWeight: 743.89152

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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)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)CC(=O)OC)C(=O)NCC(CO)O)C)C

InChI

InChI=1S/C40H53N7O7/c1-8-25-19(2)28-16-33-36(23(6)49)21(4)30(45-33)14-29-20(3)26(9-10-34(51)42-12-11-41)38(46-29)27(13-35(52)54-7)39-37(40(53)43-17-24(50)18-48)22(5)31(47-39)15-32(25)44-28/h14-16,19-20,24-26,45,47-48,50H,8-13,17-18,41H2,1-7H3,(H,42,51)(H,43,53)/t19-,20+,24?,25-,26+/m1/s1