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

Details

Stereochemistry ABSOLUTE
Molecular Formula C44H71N13O15
Molecular Weight 1022.1126
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYPEPTIN

SMILES

[H][C@](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N)([C@@H](O)C(N)=O)C(=O)N[C@H]1C(=O)N[C@@]([H])([C@@H](O)C2=CC=C(O)C=C2)C(=O)N[C@@]([H])([C@H](O)C(C)C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)O[C@@]1([H])C(N)=O

InChI

InChIKey=FZKVQDUEWNYBMS-JAWMQALNSA-N
InChI=1S/C44H71N13O15/c1-8-19(6)25-43(71)72-33(35(47)63)29(42(70)56-27(31(60)21-11-13-22(58)14-12-21)40(68)55-26(39(67)53-25)30(59)18(4)5)57-41(69)28(32(61)34(46)62)54-37(65)23(10-9-15-50-44(48)49)51-38(66)24(16-17(2)3)52-36(64)20(7)45/h11-14,17-20,23-33,58-61H,8-10,15-16,45H2,1-7H3,(H2,46,62)(H2,47,63)(H,51,66)(H,52,64)(H,53,67)(H,54,65)(H,55,68)(H,56,70)(H,57,69)(H4,48,49,50)/t19-,20-,23+,24+,25-,26-,27-,28-,29+,30+,31-,32+,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H71N13O15
Molecular Weight 1022.1126
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:48:19 GMT 2023
Edited
by admin
on Sat Dec 16 11:48:19 GMT 2023
Record UNII
0V1I6WBK4F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYPEPTIN
Common Name English
L-ISOLEUCINE, L-ALANYL-D-LEUCYL-D-ARGINYL-(3R)-3-HYDROXY-L-ASPARAGINYL-(3R)-3-HYDROXY-D-ASPARAGINYL-(.BETA.S)-.BETA.-HYDROXY-L-TYROSYL-(3R)-3-HYDROXY-L-LEUCYL-, (8->5)-LACTONE
Systematic Name English
Code System Code Type Description
CAS
124883-38-1
Created by admin on Sat Dec 16 11:48:19 GMT 2023 , Edited by admin on Sat Dec 16 11:48:19 GMT 2023
PRIMARY
PUBCHEM
121225236
Created by admin on Sat Dec 16 11:48:19 GMT 2023 , Edited by admin on Sat Dec 16 11:48:19 GMT 2023
PRIMARY
FDA UNII
0V1I6WBK4F
Created by admin on Sat Dec 16 11:48:19 GMT 2023 , Edited by admin on Sat Dec 16 11:48:19 GMT 2023
PRIMARY