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Molecular weight: 1536.52
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Iso. SMILES:
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CCC(C)[C@@H]1C(=O)N2[C@@H](CCCN2)C(=O)N3[C@H](CCCN3)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N4[C@@H](C[C@@]5([C@H]4NC6=C5C=C(C(=C6)Cl)C7=CC8=C(C=C7Cl)N[C@@H]9[C@]8(C[C@@H]%10N9C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]%11CCCNN%11C(=O)[C@@H]%12CCCNN%12C(=O)[C@H](NC%10=O)C(C)C)COC)C(C)O)O)O)C(=O)N1)C(C)O)COC
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InChI Key:
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NWFCXTIJRCZBBM-AUQQPDAISA-N
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Can. SMILES:
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CCC(C)[C@@H]1C(=O)N2[C@@H](CCCN2)C(=O)N3[C@H](CCCN3)C(=O)N[C@@H](COC)C(=O)N[C@H](C(C)O)C(=O)N4[C@@H](C[C@]5(C6=CC(=C(C=C6N[C@H]54)Cl)C7=C(C=C8C(=C7)[C@@]9(C[C@H]%10C(=O)N[C@H](C(C)C)C(=O)N%11[C@@H](CCCN%11)C(=O)N%12[C@H](CCCN%12)C(=O)N[C@@H](COC)C(=O)N[C@H](C(C)O)C(=O)N%10[C@@H]9N8)O)Cl)O)C(=O)N1
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InChI:
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InChI=1S/C69H96Cl2N18O18/c1-9-31(4)51-65(103)89-47(17-13-21-75-89)61(99)87-45(15-11-19-73-87)57(95)77-43(29-107-8)55(93)83-53(33(6)91)63(101)85-49(59(97)81-51)27-69(105)37-23-35(39(71)25-41(37)79-67(69)85)34-22-36-40(24-38(34)70)78-66-68(36,104)26-48-58(96)80-50(30(2)3)64(102)88-46(16-12-20-74-88)60(98)86-44(14-10-18-72-86)56(94)76-42(28-106-7)54(92)82-52(32(5)90)62(100)84(48)66/h22-25,30-33,42-53,66-67,72-75,78-79,90-91,104-105H,9-21,26-29H2,1-8H3,(H,76,94)(H,77,95)(H,80,96)(H,81,97)(H,82,92)(H,83,93)/t31?,32?,33?,42-,43-,44+,45+,46-,47-,48-,49-,50+,51+,52+,53+,66-,67-,68+,69+/m0/s1
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