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

Details

Stereochemistry ABSOLUTE
Molecular Formula C49H83N15O18S
Molecular Weight 1202.338
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NO_NAME

SMILES

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=ZMOVUJIOHDLTGV-HRDTXMFZSA-N
InChI=1S/C49H83N15O18S/c1-23(2)12-29(60-42(74)28(50)20-65)43(75)55-17-37(70)53-15-35(68)51-14-34(67)52-16-36(69)54-18-39(72)59-32(22-83)45(77)58-26(7)41(73)61-30(13-24(3)4)48(80)64-11-9-10-33(64)46(78)63-40(25(5)6)47(79)62-31(21-66)44(76)56-19-38(71)57-27(8)49(81)82/h23-33,40,65-66,83H,9-22,50H2,1-8H3,(H,51,68)(H,52,67)(H,53,70)(H,54,69)(H,55,75)(H,56,76)(H,57,71)(H,58,77)(H,59,72)(H,60,74)(H,61,73)(H,62,79)(H,63,78)(H,81,82)/t26-,27-,28-,29-,30-,31-,32-,33-,40-/m0/s1

HIDE SMILES / InChI

Approval Year