
 CID 72711590

182187  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 72711590

>  <PubChem CID>
72711590

>  <Formula>
C65H85N19O13

>  <Molecular Weight>
1340.515000

>  <IUPAC Name>


>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
20

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCCNC(=N)NC)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)NNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CNC=N5)NC(=O)C(CC6=CC=C(C=C6)O)N

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)NNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CC5=CNC=N5)NC(=O)[C@@H](CC6=CC=C(C=C6)O)N

>  <InChI Std. ID>
InChI=1S/C65H85N19O13/c1-36(2)25-48(58(91)75-46(19-12-24-72-64(69)70-3)57(90)76-47(55(68)88)27-37-13-6-4-7-14-37)82-65(97)84-83-63(96)49(28-38-15-8-5-9-16-38)78-62(95)53(34-85)81-61(94)52(31-54(67)87)80-59(92)50(29-40-32-73-45-18-11-10-17-43(40)45)79-60(93)51(30-41-33-71-35-74-41)77-56(89)44(66)26-39-20-22-42(86)23-21-39/h4-11,13-18,20-23,32-33,35-36,44,46-53,73,85-86H,12,19,24-31,34,66H2,1-3H3,(H2,67,87)(H2,68,88)(H,71,74)(H,75,91)(H,76,90)(H,77,89)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H,83,96)(H3,69,70,72)(H2,82,84,97)/t44-,46+,47+,48+,49+,50+,51-,52+,53+/m1/s1

>  <InChI Key>
QMACIFNEBPWPTR-VTPUJHFRSA-N

