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

Details

Stereochemistry ABSOLUTE
Molecular Formula C97H139N19O18
Molecular Weight 1859.2581
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 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=CNC2=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=CNC5=C4C=CC=C5)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC6=CNC7=C6C=CC=C7)C(=O)NCCO

InChI

InChIKey=HABZTEMEEGKJMS-ZVOVLZPRSA-N
InChI=1S/C97H139N19O18/c1-50(2)37-71(106-84(121)58(17)104-79(120)48-102-94(131)80(54(9)10)103-49-118)87(124)105-59(18)85(122)114-82(56(13)14)96(133)116-83(57(15)16)97(134)115-81(55(11)12)95(132)113-78(44-63-47-101-70-30-24-21-27-67(63)70)93(130)109-72(38-51(3)4)88(125)110-75(41-60-31-33-64(119)34-32-60)91(128)107-74(40-53(7)8)90(127)112-77(43-62-46-100-69-29-23-20-26-66(62)69)92(129)108-73(39-52(5)6)89(126)111-76(86(123)98-35-36-117)42-61-45-99-68-28-22-19-25-65(61)68/h19-34,45-47,49-59,71-78,80-83,99-101,117,119H,35-44,48H2,1-18H3,(H,98,123)(H,102,131)(H,103,118)(H,104,120)(H,105,124)(H,106,121)(H,107,128)(H,108,129)(H,109,130)(H,110,125)(H,111,126)(H,112,127)(H,113,132)(H,114,122)(H,115,134)(H,116,133)/t58-,59-,71+,72+,73+,74+,75-,76-,77-,78-,80-,81+,82+,83-/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Name Type Language
VALINEGRAMICIDIN C
Common Name English
GRAMICIDIN A, 1-L-VALINE-11-TYROSINE
Common Name English
TRYPTOPHANAMIDE, FORMYL-L-VALYLGLYCYL-L-ALANYL-D-LEUCYL-L-ALANYL-D-VALYL-L-VALYL-D-VALYL-L-TRYPTOPHYL-D-LEUCYL-L-TYROSYL-D-LEUCYL-L-TRYPTOPHYL-D-LEUCYL-N-2-HYDROXYETHYL-
Systematic Name English
1-L-VALINEGRAMICIDIN C
Common Name English
Code System Code Type Description
CAS
58442-65-2
Created by admin on Fri Dec 15 16:28:53 UTC 2023 , Edited by admin on Fri Dec 15 16:28:53 UTC 2023
PRIMARY
FDA UNII
8Z51IDG72X
Created by admin on Fri Dec 15 16:28:53 UTC 2023 , Edited by admin on Fri Dec 15 16:28:53 UTC 2023
PRIMARY
PUBCHEM
25244167
Created by admin on Fri Dec 15 16:28:53 UTC 2023 , Edited by admin on Fri Dec 15 16:28:53 UTC 2023
PRIMARY