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

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H77N11O15S
Molecular Weight 1056.233
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NO_NAME

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O

InChI

InChIKey=YOTXBMQIXSHJOM-DADMTOTQSA-N
InChI=1S/C46H77N11O15S/c1-10-22(6)35(56-42(67)34(47)25(9)58)43(68)53-29(16-26-18-48-20-49-26)40(65)51-30(17-33(61)62)41(66)55-37(24(8)12-3)45(70)57-36(23(7)11-2)44(69)52-28(15-21(4)5)39(64)50-27(13-14-32(59)60)38(63)54-31(19-73)46(71)72/h18,20-25,27-31,34-37,58,73H,10-17,19,47H2,1-9H3,(H,48,49)(H,50,64)(H,51,65)(H,52,69)(H,53,68)(H,54,63)(H,55,66)(H,56,67)(H,57,70)(H,59,60)(H,61,62)(H,71,72)/t22-,23-,24-,25+,27-,28-,29-,30-,31-,34-,35-,36-,37-/m0/s1

HIDE SMILES / InChI

Approval Year