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(Z)-5-[3-[8,11-bis(hydroxymethyl)-17-[3-[[(E)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-2-enoyl]-oxidanyl-amino]propyl]-14-[3-[[(Z)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-2-enoyl]-oxidanyl-amino]propyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl-oxidanyl-amino]-3-methyl-5-oxidanylidene-pent-3-enoic acid
(Z)-5-[3-[8,11-bis(hydroxymethyl)-17-[3-[[(E)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-2-enoyl]-oxidanyl-amino]propyl]-14-[3-[[(Z)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-2-enoyl]-oxidanyl-amino]propyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl-oxidanyl-amino]-3-methyl-5-oxidanylidene-pent-3-enoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC(=CC(=O)N(CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN(C(=O)C=C(C)CC(=O)O)O)CCCN(C(=O)C=C(C)CC(=O)O)O)CO)CO)O)CC(=O)O
Isomeric SMILES
C/C(=C/C(=O)N(CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN(C(=O)/C=C(\C)/CC(=O)O)O)CCCN(C(=O)/C=C(/C)\CC(=O)O)O)CO)CO)O)/CC(=O)O
InChI
InChI=1S/C41H61N9O20/c1-22(16-34(57)58)13-31(54)48(68)10-4-7-25-37(63)42-19-30(53)43-28(20-51)40(66)47-29(21-52)41(67)46-27(9-6-12-50(70)33(56)15-24(3)18-36(61)62)39(65)45-26(38(64)44-25)8-5-11-49(69)32(55)14-23(2)17-35(59)60/h13-15,25-29,51-52,68-70H,4-12,16-21H2,1-3H3,(H,42,63)(H,43,53)(H,44,64)(H,45,65)(H,46,67)(H,47,66)(H,57,58)(H,59,60)(H,61,62)/b22-13-,23-14+,24-15-
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