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

Details

Stereochemistry ABSOLUTE
Molecular Formula C92H150N22O25
Molecular Weight 1964.3078
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALAMETHICIN

SMILES

CC(C)C[C@@H](NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@](C)(CCC(N)=O)C(=O)N[C@H](CO)CC3=CC=CC=C3

InChI

InChIKey=NRRXBXXRKXUIFD-ZTEFGAJGSA-N
InChI=1S/C92H150N22O25/c1-47(2)43-58(72(127)108-91(23,24)84(139)113-41-29-33-59(113)73(128)103-65(48(3)4)75(130)111-88(17,18)80(135)97-51(8)68(123)102-57(36-38-64(120)121)71(126)112-92(25,40-39-62(94)118)82(137)99-55(46-115)44-54-31-27-26-28-32-54)100-63(119)45-95-77(132)85(11,12)110-76(131)66(49(5)6)104-81(136)89(19,20)107-70(125)56(35-37-61(93)117)101-67(122)50(7)96-78(133)86(13,14)106-69(124)52(9)98-79(134)87(15,16)109-74(129)60-34-30-42-114(60)83(138)90(21,22)105-53(10)116/h26-28,31-32,47-52,55-60,65-66,115H,29-30,33-46H2,1-25H3,(H2,93,117)(H2,94,118)(H,95,132)(H,96,133)(H,97,135)(H,98,134)(H,99,137)(H,100,119)(H,101,122)(H,102,123)(H,103,128)(H,104,136)(H,105,116)(H,106,124)(H,107,125)(H,108,127)(H,109,129)(H,110,131)(H,111,130)(H,112,126)(H,120,121)/t50-,51-,52-,55-,56-,57-,58+,59-,60-,65-,66-,92-/m0/s1

HIDE SMILES / InChI

Molecular Formula C92H150N22O25
Molecular Weight 1964.3078
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 11
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:17:54 UTC 2023
Edited
by admin
on Sat Dec 16 08:17:54 UTC 2023
Record UNII
0LT1I1B7S8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALAMETHICIN
Common Name English
AC-AIB-PRO-AIB-ALA-AIB-ALA-GLN-AIB-VAL-AIB-GLY-LEU-AIB-PRO-VAL-AIB-AIB-GLU-GLN-PHL
Common Name English
Code System Code Type Description
CAS
27061-78-5
Created by admin on Sat Dec 16 08:17:54 UTC 2023 , Edited by admin on Sat Dec 16 08:17:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID40893675
Created by admin on Sat Dec 16 08:17:54 UTC 2023 , Edited by admin on Sat Dec 16 08:17:54 UTC 2023
PRIMARY
FDA UNII
0LT1I1B7S8
Created by admin on Sat Dec 16 08:17:54 UTC 2023 , Edited by admin on Sat Dec 16 08:17:54 UTC 2023
PRIMARY
PUBCHEM
76958618
Created by admin on Sat Dec 16 08:17:54 UTC 2023 , Edited by admin on Sat Dec 16 08:17:54 UTC 2023
PRIMARY
WIKIPEDIA
ALAMETHICIN
Created by admin on Sat Dec 16 08:17:54 UTC 2023 , Edited by admin on Sat Dec 16 08:17:54 UTC 2023
PRIMARY