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

Details

Stereochemistry ABSOLUTE
Molecular Formula C69H107N17O20
Molecular Weight 1494.6898
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NO_NAME

SMILES

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI

InChIKey=TZWZEQDXORBYHF-MZIWIROASA-N
InChI=1S/C69H107N17O20/c1-32(2)25-44(62(98)81-47(69(105)106)28-53(90)91)79-65(101)54(34(5)6)83-63(99)49-19-15-23-85(49)67(103)39(12)76-61(97)45(27-40-29-72-42-18-14-13-17-41(40)42)78-60(96)43(21-22-51(71)88)77-58(94)38(11)75-57(93)37(10)74-52(89)30-73-59(95)48(31-87)82-66(102)55(35(7)8)84-64(100)50-20-16-24-86(50)68(104)46(26-33(3)4)80-56(92)36(9)70/h13-14,17-18,29,32-39,43-50,54-55,72,87H,15-16,19-28,30-31,70H2,1-12H3,(H2,71,88)(H,73,95)(H,74,89)(H,75,93)(H,76,97)(H,77,94)(H,78,96)(H,79,101)(H,80,92)(H,81,98)(H,82,102)(H,83,99)(H,84,100)(H,90,91)(H,105,106)/t36-,37-,38-,39-,43-,44-,45-,46-,47-,48-,49-,50-,54-,55-/m0/s1

HIDE SMILES / InChI

Approval Year