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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H104N18O31S3
Molecular Weight 1825.904
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 31-45-.BETA.-INHIBIN (HUMAN)

SMILES

C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(O)=O

InChI

InChIKey=LXCWYTUKZXZSAJ-AUHBJGJSSA-N
InChI=1S/C73H104N18O31S3/c1-29(92)55(88-60(108)39(14-17-49(75)97)78-64(112)43(81-59(107)37(74)13-18-51(99)100)22-34-25-77-38-8-6-5-7-36(34)38)70(118)84-45(24-54(105)106)66(114)83-44(23-50(76)98)65(113)85-46(26-123)67(115)80-40(15-19-52(101)102)61(109)89-56(30(2)93)71(119)87-48(28-125)69(117)90-57(31(3)94)72(120)86-47(27-124)68(116)82-42(21-33-9-11-35(96)12-10-33)63(111)79-41(16-20-53(103)104)62(110)91-58(32(4)95)73(121)122/h5-12,25,29-32,37,39-48,55-58,77,92-96,123-125H,13-24,26-28,74H2,1-4H3,(H2,75,97)(H2,76,98)(H,78,112)(H,79,111)(H,80,115)(H,81,107)(H,82,116)(H,83,114)(H,84,118)(H,85,113)(H,86,120)(H,87,119)(H,88,108)(H,89,109)(H,90,117)(H,91,110)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,121,122)/t29-,30-,31-,32-,37+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,55+,56+,57+,58+/m1/s1

HIDE SMILES / InChI

Molecular Formula C73H104N18O31S3
Molecular Weight 1825.904
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 7
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:12:36 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:36 GMT 2023
Record UNII
041Y48Q3W4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
31-45-.BETA.-INHIBIN (HUMAN)
Common Name English
L-THREONINE, L-.ALPHA.-GLUTAMYL-L-TRYPTOPHYL-L-GLUTAMINYL-L-THREONYL-L-.ALPHA.-ASPARTYL-L-ASPARAGINYL-L-CYSTEINYL-L-.ALPHA.-GLUTAMYL-L-THREONYL-L-CYSTEINYL-L-THREONYL-L-CYSTEINYL-L-TYROSYL-L-.ALPHA.-GLUTAMYL-
Systematic Name English
GLU-TRP-GLN-THR-ASP-ASN-CYS-GLU-THR-CYS-THR-CYS-TYR-GLU-THR
Common Name English
Code System Code Type Description
FDA UNII
041Y48Q3W4
Created by admin on Sat Dec 16 12:12:36 GMT 2023 , Edited by admin on Sat Dec 16 12:12:36 GMT 2023
PRIMARY
PUBCHEM
16141711
Created by admin on Sat Dec 16 12:12:36 GMT 2023 , Edited by admin on Sat Dec 16 12:12:36 GMT 2023
PRIMARY
CAS
414903-37-0
Created by admin on Sat Dec 16 12:12:36 GMT 2023 , Edited by admin on Sat Dec 16 12:12:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID10194383
Created by admin on Sat Dec 16 12:12:36 GMT 2023 , Edited by admin on Sat Dec 16 12:12:36 GMT 2023
PRIMARY
Related Record Type Details
DERIVATIVE -> PARENT