CAS Registry Number®
2112738-13-1
Molecular Formula
C39H50N8O14Molecular Mass
854.86Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2112738-13-1 (retrieved ) (CAS RN: 2112738-13-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C39H50N8O14/c1-25(2)35(45-32(49)16-20-58-22-23-59-21-18-41-31(48)15-19-46-33(50)13-14-34(46)51)37(53)44-30(4-3-17-42-38(40)54)36(52)43-27-7-5-26(6-8-27)24-60-39(55)61-29-11-9-28(10-12-29)47(56)57/h5-14,25,30,35H,3-4,15-24H2,1-2H3,(H,41,48)(H,43,52)(H,44,53)(H,45,49)(H3,40,42,54)/t30-,35-/m0/s1
InChIKey
InChIKey=PAGAOQLHMRBQFV-QGRQJHSQSA-N
SMILES
[C@H](C(NC1=CC=C(COC(OC2=CC=C(N(=O)=O)C=C2)=O)C=C1)=O)(NC([C@@H](NC(CCOCCOCCNC(CCN3C(=O)C=CC3=O)=O)=O)[C@@H](C)C)=O)CCCNC(N)=O
Canonical SMILES
O=C(OC1=CC=C(C=C1)N(=O)=O)OCC2=CC=C(C=C2)NC(=O)C(NC(=O)C(NC(=O)CCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)C(C)C)CCCNC(=O)N
