3-[7,12-bis(ethenyl)-18-[3-[[(2R)-1-[[(2R)-3-(1H-imidazol-5-yl)-1-[(11-methoxy-11-oxidanylidene-undecyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[7,12-bis(ethenyl)-18-[3-[[(2R)-1-[[(2R)-3-(1H-imidazol-5-yl)-1-[(11-methoxy-11-oxidanylidene-undecyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-[3-[[(1R)-1-[[(1R)-1-(1H-imidazol-5-ylmethyl)-2-[(11-methoxy-11-oxo-undecyl)amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-oxo-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[7,12-bis(ethenyl)-18-[3-[[(2R)-1-[[(2R)-3-(1H-imidazol-5-yl)-1-[(11-methoxy-11-oxoundecyl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[7,12-bis(ethenyl)-18-[3-[[(2R)-1-[[(2R)-3-(1H-imidazol-5-yl)-1-[(11-methoxy-11-oxoundecyl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-[3-[[(1R)-1-[[(1R)-1-(1H-imidazol-5-ylmethyl)-2-keto-2-[(11-keto-11-methoxy-undecyl)amino]ethyl]carbamoyl]-3-methyl-butyl]amino]-3-keto-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-22,23-dihydroporphin-2-yl]propionic acid Formula: C58H75N9O7 MolecularWeight: 1010.2722

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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)NC(CC(C)C)C(=O)NC(CC6=CN=CN6)C(=O)NCCCCCCCCCCC(=O)OC)CCC(=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)N[C@H](CC(C)C)C(=O)N[C@H](CC6=CN=CN6)C(=O)NCCCCCCCCCCC(=O)OC)CCC(=O)O)C)C=C)C)C=C

InChI

InChI=1S/C58H75N9O7/c1-10-40-35(5)44-28-45-37(7)42(50(64-45)31-51-43(22-24-55(69)70)38(8)47(65-51)30-49-41(11-2)36(6)46(63-49)29-48(40)62-44)21-23-54(68)66-52(26-34(3)4)58(73)67-53(27-39-32-59-33-61-39)57(72)60-25-19-17-15-13-12-14-16-18-20-56(71)74-9/h10-11,28-34,52-53,62-63H,1-2,12-27H2,3-9H3,(H,59,61)(H,60,72)(H,66,68)(H,67,73)(H,69,70)/t52-,53-/m1/s1