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

Details

Stereochemistry ABSOLUTE
Molecular Formula C67H117N17O22
Molecular Weight 1512.7466
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (29-43)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=KRJLATSQNCZRBR-ZVYWRAJVSA-N
InChI=1S/C67H117N17O22/c1-15-35(10)53(66(104)75-39(14)67(105)106)84-56(94)38(13)74-61(99)44(25-32(4)5)79-55(93)37(12)73-58(96)43(20-22-51(88)89)78-64(102)47(28-52(90)91)82-59(97)41(18-16-17-23-68)77-62(100)45(26-33(6)7)80-63(101)46(27-34(8)9)81-65(103)48(30-85)83-60(98)42(19-21-49(70)86)76-50(87)29-71-54(92)36(11)72-57(95)40(69)24-31(2)3/h31-48,53,85H,15-30,68-69H2,1-14H3,(H2,70,86)(H,71,92)(H,72,95)(H,73,96)(H,74,99)(H,75,104)(H,76,87)(H,77,100)(H,78,102)(H,79,93)(H,80,101)(H,81,103)(H,82,97)(H,83,98)(H,84,94)(H,88,89)(H,90,91)(H,105,106)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1

HIDE SMILES / InChI

Approval Year