VALINEGRAMICIDIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C97H139N19O17
Molecular Weight	1843.2587
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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=CC=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=LQSMEVHEYXACJP-DSHASFMGSA-N

InChI=1S/C97H139N19O17/c1-51(2)38-71(106-84(120)59(17)104-79(119)49-102-94(130)80(55(9)10)103-50-118)87(123)105-60(18)85(121)114-82(57(13)14)96(132)116-83(58(15)16)97(133)115-81(56(11)12)95(131)113-78(45-64-48-101-70-35-27-24-32-67(64)70)93(129)109-72(39-52(3)4)88(124)110-75(42-61-28-20-19-21-29-61)91(127)107-74(41-54(7)8)90(126)112-77(44-63-47-100-69-34-26-23-31-66(63)69)92(128)108-73(40-53(5)6)89(125)111-76(86(122)98-36-37-117)43-62-46-99-68-33-25-22-30-65(62)68/h19-35,46-48,50-60,71-78,80-83,99-101,117H,36-45,49H2,1-18H3,(H,98,122)(H,102,130)(H,103,118)(H,104,119)(H,105,123)(H,106,120)(H,107,127)(H,108,128)(H,109,129)(H,110,124)(H,111,125)(H,112,126)(H,113,131)(H,114,121)(H,115,133)(H,116,132)/t59-,60-,71+,72+,73+,74+,75-,76-,77-,78-,80-,81+,82+,83-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C97H139N19O17
Molecular Weight	1843.2587
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	9
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
The linear pentadecapeptide gramicidin is assembled by four multimodular nonribosomal peptide synthetases that comprise 16 modules with 56 catalytic domains.	2004-02-27	14670971

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:29:10 GMT 2025` Edited by `admin` on `Mon Mar 31 18:29:10 GMT 2025`
Record UNII	7F82B1QV4X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALINEGRAMICIDIN B

Common Name

English

1-L-VALINEGRAMICIDIN B

Preferred Name

English

TRYPTOPHANAMIDE, FORMYL-L-VALYLGLYCYL-L-ALANYL-D-LEUCYL-L-ALANYL-D-VALYL-L-VALYL-D-VALYL-L-TRYPTOPHYL-D-LEUCYL-L-PHENYLALANYL-D-LEUCYL-L-TRYPTOPHYL-D-LEUCYL-N-2-HYDROXYETHYL-

Systematic Name

English

GRAMICIDIN A, 1-L-VALINE-11-PHENYLALANINE

Common Name

English

Code System Code Type Description

PUBCHEM

25244501

Created by admin on Mon Mar 31 18:29:10 GMT 2025 , Edited by admin on Mon Mar 31 18:29:10 GMT 2025

PRIMARY

CAS

4422-52-0

Created by admin on Mon Mar 31 18:29:10 GMT 2025 , Edited by admin on Mon Mar 31 18:29:10 GMT 2025

PRIMARY

FDA UNII

7F82B1QV4X

Created by admin on Mon Mar 31 18:29:10 GMT 2025 , Edited by admin on Mon Mar 31 18:29:10 GMT 2025

PRIMARY