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

Details

Stereochemistry ABSOLUTE
Molecular Formula C75H125N25O20S2
Molecular Weight 1761.081
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (377-391)]

SMILES

CC(C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O

InChI

InChIKey=CPZHWKZRGISGRU-SFGBLTSYSA-N
InChI=1S/C75H125N25O20S2/c1-39(2)58(97-57(105)35-86-70(115)59(40(3)101)98-61(106)44(79)33-43-34-84-38-87-43)71(116)92-49(19-9-12-28-77)73(118)100-31-15-22-54(100)69(114)94-51(32-42-16-6-5-7-17-42)66(111)90-48(24-26-56(81)104)64(109)95-52(36-121)67(112)89-45(18-8-11-27-76)65(110)99-60(41(4)102)72(117)96-53(37-122)68(113)91-47(23-25-55(80)103)63(108)88-46(21-14-30-85-75(82)83)62(107)93-50(74(119)120)20-10-13-29-78/h5-7,16-17,34,38-41,44-54,58-60,101-102,121-122H,8-15,18-33,35-37,76-79H2,1-4H3,(H2,80,103)(H2,81,104)(H,84,87)(H,86,115)(H,88,108)(H,89,112)(H,90,111)(H,91,113)(H,92,116)(H,93,107)(H,94,114)(H,95,109)(H,96,117)(H,97,105)(H,98,106)(H,99,110)(H,119,120)(H4,82,83,85)/t40-,41-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,58+,59+,60+/m1/s1

HIDE SMILES / InChI

Approval Year