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Substance Name: Symplostatin 2
RN: 225915-64-0
InChIKey: ZXPCHASEFBWLAG-FCJNRRSWSA-N

Molecular Weight

  • 1051.2656
 
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Names and Synonyms

  • Symplostatin 2

Registry Numbers

CAS Registry Number

  • 225915-64-0

System Generated Number

  • 0225915640

Structure Descriptors

InChI

1S/C52H74N8O13S/c1-10-16-40(62)56-43(30(6)11-2)48(67)54-36(25-26-74(9)72)46(65)58-44-31(7)73-52(71)42(29(4)5)57-47(66)38(27-33-19-21-34(61)22-20-33)59(8)51(70)39(28-32-17-14-13-15-18-32)60-41(63)24-23-37(50(60)69)55-45(64)35(12-3)53-49(44)68/h12-15,17-22,29-31,36-39,41-44,61,63H,10-11,16,23-28H2,1-9H3,(H,53,68)(H,54,67)(H,55,64)(H,56,62)(H,57,66)(H,58,65)/b35-12+/t30-,31+,36-,37-,38-,39-,41+,42-,43-,44-,74?/m0/s1

InChIKey

ZXPCHASEFBWLAG-FCJNRRSWSA-N

Smiles

[C@@H]12CC[C@H](N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)NC(=C\C)\C(=O)N1)NC(=O)[C@H](CCS(=O)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC)C)[C@@H](C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)C2=O)O