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

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H75N21O11
Molecular Weight 1038.1683
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [GLY-ARG-ARG-ALA-ALA-PRO-GLY-ARG-AIB-GLY-GLY-NH2]

SMILES

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)(C)C(=O)NCC(=O)NCC(N)=O

InChI

InChIKey=NSVUYPMUSKVTRT-FRSCJGFNSA-N
InChI=1S/C41H75N21O11/c1-21(56-32(68)24(10-6-14-51-39(46)47)60-33(69)23(58-28(64)17-42)9-5-13-50-38(44)45)31(67)57-22(2)36(72)62-16-8-12-26(62)35(71)54-20-30(66)59-25(11-7-15-52-40(48)49)34(70)61-41(3,4)37(73)55-19-29(65)53-18-27(43)63/h21-26H,5-20,42H2,1-4H3,(H2,43,63)(H,53,65)(H,54,71)(H,55,73)(H,56,68)(H,57,67)(H,58,64)(H,59,66)(H,60,69)(H,61,70)(H4,44,45,50)(H4,46,47,51)(H4,48,49,52)/t21-,22-,23-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Approval Year