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

Details

Stereochemistry ABSOLUTE
Molecular Formula C85H137N19O24
Molecular Weight 1809.1102
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (89-103)]

SMILES

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

InChI

InChIKey=PNXHAXARWZFCEU-KNUFJSRDSA-N
InChI=1S/C85H137N19O24/c1-46(2)40-60(72(114)91-45-66(107)92-55(30-34-67(108)109)75(117)101-64(44-52-24-14-11-15-25-52)81(123)100-61(41-47(3)4)79(121)98-59(85(127)128)28-18-21-39-88)103-84(126)71(50(9)105)104-82(124)62(42-48(5)6)99-78(120)58(32-36-69(112)113)95-76(118)57(31-35-68(110)111)96-80(122)63(43-51-22-12-10-13-23-51)102-77(119)56(29-33-65(89)106)94-73(115)53(26-16-19-37-86)93-74(116)54(27-17-20-38-87)97-83(125)70(90)49(7)8/h10-15,22-25,46-50,53-64,70-71,105H,16-21,26-45,86-88,90H2,1-9H3,(H2,89,106)(H,91,114)(H,92,107)(H,93,116)(H,94,115)(H,95,118)(H,96,122)(H,97,125)(H,98,121)(H,99,120)(H,100,123)(H,101,117)(H,102,119)(H,103,126)(H,104,124)(H,108,109)(H,110,111)(H,112,113)(H,127,128)/t50-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,70+,71+/m1/s1

HIDE SMILES / InChI

Approval Year