CAS Registry Number®
Molecular Formula
C56H98N16O13Molecular Mass
1203.48Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1952315-39-7 (retrieved ) (CAS RN: 1952315-39-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38+,39+,40+,41+,42+,43-,45+,46+/m1/s1
InChIKey
InChIKey=WQVJHHACXVLGBL-NARAKGNPSA-N
SMILES
C([C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@]([C@@H](C)O)(C(=O)NCC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CCCCC(CC)C)=O)CCN)=O)[C@@H](C)O)=O)CCN)=O)C(=O)N[C@@H](CCN)C(=O)N1)[H])C2=CC=CC=C2
Canonical SMILES
O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1)C(O)C)CCN)CCN)CC(C)C)CC=2C=CC=CC2)CCN)CCN)C(O)C)CCN)CCCCC(C)CC
