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 Feb 27	14670971

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:28:52 UTC 2023` Edited by `admin` on `Fri Dec 15 16:28:52 UTC 2023`
Record UNII	7F82B1QV4X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALINEGRAMICIDIN B

Common 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

1-L-VALINEGRAMICIDIN B

Common Name

English

Code System Code Type Description

PUBCHEM

25244501

Created by admin on Fri Dec 15 16:28:52 UTC 2023 , Edited by admin on Fri Dec 15 16:28:52 UTC 2023

PRIMARY

CAS

4422-52-0

Created by admin on Fri Dec 15 16:28:52 UTC 2023 , Edited by admin on Fri Dec 15 16:28:52 UTC 2023

PRIMARY

FDA UNII

7F82B1QV4X

Created by admin on Fri Dec 15 16:28:52 UTC 2023 , Edited by admin on Fri Dec 15 16:28:52 UTC 2023

PRIMARY