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3-[7,12-bis[1-[2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid

3-[7,12-bis[1-[2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid

Systemtic Name:3-[7,12-bis[1-[2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid
Openeye Name:3-[7,12-bis[1-[2-amino-3-(methylamino)-3-oxo-propyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid
CAS Name:3-[7,12-bis[1-[[2-amino-3-(methylamino)-3-oxopropyl]thio]ethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid
IUPAC Name:3-[7,12-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid
Traditional Name:3-[7,12-bis[1-[[2-amino-3-keto-3-(methylamino)propyl]thio]ethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphin-2-yl]propionic acid
Formula: C43H58N8O6S2
MolecularWeight: 847.10062
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2C=C3C(=C(C(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C(C)SCC(C(=O)NC)N)C)C)CCC(=O)O)N3)CCC(=O)O)C)C(C)SCC(C(=O)NC)N


Isomeric SMILES

CCC1=C(C2C=C3C(=C(C(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C(C)SCC(C(=O)NC)N)C)C)CCC(=O)O)N3)CCC(=O)O)C)C(C)SCC(C(=O)NC)N


InChI

InChI=1S/C43H58N8O6S2/c1-9-25-33-17-36-40(23(5)58-18-28(44)42(56)46-7)22(4)32(50-36)14-30-20(2)26(10-12-38(52)53)34(48-30)16-35-27(11-13-39(54)55)21(3)31(49-35)15-37(51-33)41(25)24(6)59-19-29(45)43(57)47-8/h14-17,23-24,28-29,37,48-50H,9-13,18-19,44-45H2,1-8H3,(H,46,56)(H,47,57)(H,52,53)(H,54,55)


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Name: 3-[7,12-bis[1-[2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid

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