ISOLEUCINEGRAMICIDIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C98H141N19O17
Molecular Weight	1857.2852
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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=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=DIFKDOVAQNEQFQ-APJUGUNFSA-N

InChI=1S/C98H141N19O17/c1-19-59(16)84(104-51-119)95(131)103-50-80(120)105-60(17)85(121)107-72(39-52(2)3)88(124)106-61(18)86(122)115-82(57(12)13)97(133)117-83(58(14)15)98(134)116-81(56(10)11)96(132)114-79(46-65-49-102-71-36-28-25-33-68(65)71)94(130)110-73(40-53(4)5)89(125)111-76(43-62-29-21-20-22-30-62)92(128)108-75(42-55(8)9)91(127)113-78(45-64-48-101-70-35-27-24-32-67(64)70)93(129)109-74(41-54(6)7)90(126)112-77(87(123)99-37-38-118)44-63-47-100-69-34-26-23-31-66(63)69/h20-36,47-49,51-61,72-79,81-84,100-102,118H,19,37-46,50H2,1-18H3,(H,99,123)(H,103,131)(H,104,119)(H,105,120)(H,106,124)(H,107,121)(H,108,128)(H,109,129)(H,110,130)(H,111,125)(H,112,126)(H,113,127)(H,114,132)(H,115,122)(H,116,134)(H,117,133)/t59-,60-,61-,72+,73+,74+,75+,76-,77-,78-,79-,81+,82+,83-,84-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C98H141N19O17
Molecular Weight	1857.2852
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 `Fri Dec 15 16:13:11 UTC 2023` Edited by `admin` on `Fri Dec 15 16:13:11 UTC 2023`
Record UNII	JM13583U1K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOLEUCINEGRAMICIDIN B

Common Name

English

TRYPTOPHANAMIDE, FORMYL-L-ISOLEUCYLGLYCYL-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-, L-

Systematic Name

English

1-L-ISOLEUCINEGRAMICIDIN B

Common Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

JM13583U1K

Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023

PRIMARY

CAS

6377-07-7

Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023

PRIMARY

PUBCHEM

73416491

Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023

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