U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C58H89N11O15
Molecular Weight 1180.392
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NO_NAME

SMILES

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O

InChI

InChIKey=QGRMSKGRSDAMRB-SBHOCQNCSA-N
InChI=1S/C58H89N11O15/c1-11-34(10)49(57(82)63-40(22-24-46(73)74)53(78)69-48(33(8)9)58(83)84)67-45(72)29-61-51(76)43(28-35-15-13-12-14-16-35)66-56(81)47(32(6)7)68-55(80)42(26-31(4)5)65-52(77)39(21-23-44(60)71)62-54(79)41(25-30(2)3)64-50(75)38(59)27-36-17-19-37(70)20-18-36/h12-20,30-34,38-43,47-49,70H,11,21-29,59H2,1-10H3,(H2,60,71)(H,61,76)(H,62,79)(H,63,82)(H,64,75)(H,65,77)(H,66,81)(H,67,72)(H,68,80)(H,69,78)(H,73,74)(H,83,84)/t34-,38-,39-,40-,41-,42-,43-,47-,48-,49-/m0/s1

HIDE SMILES / InChI

Approval Year