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Details

Stereochemistry ABSOLUTE
Molecular Formula C100H145N19O21
Molecular Weight 1949.336
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYMETHYL VALINEGRAMICIDIN C

SMILES

CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CN(CO)C2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC4=CN(CO)C5=C4C=CC=C5)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC6=CN(CO)C7=C6C=CC=C7)C(=O)NCCO

InChI

InChIKey=NTDXOWFQFQLQKL-SLGAFNCSSA-N
InChI=1S/C100H145N19O21/c1-53(2)37-71(106-87(127)61(17)104-82(126)45-102-97(137)83(57(9)10)103-49-121)90(130)105-62(18)88(128)114-85(59(13)14)99(139)116-86(60(15)16)100(140)115-84(58(11)12)98(138)113-78(44-66-48-119(52-124)81-30-24-21-27-70(66)81)96(136)109-72(38-54(3)4)91(131)110-75(41-63-31-33-67(125)34-32-63)94(134)107-74(40-56(7)8)93(133)112-77(43-65-47-118(51-123)80-29-23-20-26-69(65)80)95(135)108-73(39-55(5)6)92(132)111-76(89(129)101-35-36-120)42-64-46-117(50-122)79-28-22-19-25-68(64)79/h19-34,46-49,53-62,71-78,83-86,120,122-125H,35-45,50-52H2,1-18H3,(H,101,129)(H,102,137)(H,103,121)(H,104,126)(H,105,130)(H,106,127)(H,107,134)(H,108,135)(H,109,136)(H,110,131)(H,111,132)(H,112,133)(H,113,138)(H,114,128)(H,115,140)(H,116,139)/t61-,62-,71+,72+,73+,74+,75-,76-,77-,78-,83-,84+,85+,86-/m0/s1

HIDE SMILES / InChI

Molecular Formula C100H145N19O21
Molecular Weight 1949.336
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 9
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:17:53 GMT 2025
Edited
by admin
on Mon Mar 31 23:17:53 GMT 2025
Record UNII
NH60497B9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYMETHYL VALINEGRAMICIDIN C
Preferred Name English
Code System Code Type Description
FDA UNII
NH60497B9E
Created by admin on Mon Mar 31 23:17:53 GMT 2025 , Edited by admin on Mon Mar 31 23:17:53 GMT 2025
PRIMARY
PUBCHEM
131634495
Created by admin on Mon Mar 31 23:17:53 GMT 2025 , Edited by admin on Mon Mar 31 23:17:53 GMT 2025
PRIMARY