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

Details

Stereochemistry ABSOLUTE
Molecular Formula C78H120N26O19S
Molecular Weight 1758.015
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (281-295)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC=N3)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=LDPJCPUFQNIHMK-WNZMXMPVSA-N
InChI=1S/C78H120N26O19S/c1-9-41(6)62(103-69(115)50(17-13-25-87-77(81)82)95-70(116)53(29-45-19-21-48(106)22-20-45)97-68(114)51(23-24-58(80)107)94-64(110)42(7)93-59(108)34-90-67(113)57(36-124)101-65(111)49(79)27-39(2)3)74(120)100-56(31-47-33-86-38-92-47)72(118)104-63(43(8)105)75(121)99-55(30-46-32-85-37-91-46)66(112)89-35-60(109)102-61(40(4)5)73(119)98-54(28-44-15-11-10-12-16-44)71(117)96-52(76(122)123)18-14-26-88-78(83)84/h10-12,15-16,19-22,32-33,37-43,49-57,61-63,105-106,124H,9,13-14,17-18,23-31,34-36,79H2,1-8H3,(H2,80,107)(H,85,91)(H,86,92)(H,89,112)(H,90,113)(H,93,108)(H,94,110)(H,95,116)(H,96,117)(H,97,114)(H,98,119)(H,99,121)(H,100,120)(H,101,111)(H,102,109)(H,103,115)(H,104,118)(H,122,123)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1

HIDE SMILES / InChI

Approval Year