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Details

Stereochemistry ABSOLUTE
Molecular Formula C101H147N19O21
Molecular Weight 1963.3626
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYMETHYL ISOLEUCINEGRAMICIDIN C

SMILES

[H][C@](NC=O)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](CC(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=TZSQTPNJFWIAFM-KFKNTMJKSA-N
InChI=1S/C101H147N19O21/c1-19-61(16)87(104-50-122)98(138)103-46-83(127)105-62(17)88(128)107-72(38-54(2)3)91(131)106-63(18)89(129)115-85(59(12)13)100(140)117-86(60(14)15)101(141)116-84(58(10)11)99(139)114-79(45-67-49-120(53-125)82-31-25-22-28-71(67)82)97(137)110-73(39-55(4)5)92(132)111-76(42-64-32-34-68(126)35-33-64)95(135)108-75(41-57(8)9)94(134)113-78(44-66-48-119(52-124)81-30-24-21-27-70(66)81)96(136)109-74(40-56(6)7)93(133)112-77(90(130)102-36-37-121)43-65-47-118(51-123)80-29-23-20-26-69(65)80/h20-35,47-50,54-63,72-79,84-87,121,123-126H,19,36-46,51-53H2,1-18H3,(H,102,130)(H,103,138)(H,104,122)(H,105,127)(H,106,131)(H,107,128)(H,108,135)(H,109,136)(H,110,137)(H,111,132)(H,112,133)(H,113,134)(H,114,139)(H,115,129)(H,116,141)(H,117,140)/t61-,62-,63-,72+,73+,74+,75+,76-,77-,78-,79-,84+,85+,86-,87-/m0/s1

HIDE SMILES / InChI

Molecular Formula C101H147N19O21
Molecular Weight 1963.3626
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 9
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:31:05 GMT 2023
Edited
by admin
on Sat Dec 16 10:31:05 GMT 2023
Record UNII
LY92391J8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYMETHYL ISOLEUCINEGRAMICIDIN C
Common Name English
Code System Code Type Description
PUBCHEM
131634035
Created by admin on Sat Dec 16 10:31:06 GMT 2023 , Edited by admin on Sat Dec 16 10:31:06 GMT 2023
PRIMARY
FDA UNII
LY92391J8Y
Created by admin on Sat Dec 16 10:31:06 GMT 2023 , Edited by admin on Sat Dec 16 10:31:06 GMT 2023
PRIMARY