ISOLEUCINEGRAMICIDIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C100H142N20O17
Molecular Weight	1896.3213
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](NC=O)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=CNC4=C3C=CC=C4)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C56)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=C7C=CC=C8)C(=O)NCCO

InChI

InChIKey=YKMZGZLYVAUETK-LQJUTOEZSA-N

InChI=1S/C100H142N20O17/c1-19-59(16)86(107-51-122)97(134)106-50-82(123)108-60(17)87(124)110-74(38-52(2)3)90(127)109-61(18)88(125)118-84(57(12)13)99(136)120-85(58(14)15)100(137)119-83(56(10)11)98(135)117-81(45-65-49-105-73-35-27-23-31-69(65)73)96(133)113-77(41-55(8)9)93(130)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(6)7)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(4)5)91(128)114-78(89(126)101-36-37-121)42-62-46-102-70-32-24-20-28-66(62)70/h20-35,46-49,51-61,74-81,83-86,102-105,121H,19,36-45,50H2,1-18H3,(H,101,126)(H,106,134)(H,107,122)(H,108,123)(H,109,127)(H,110,124)(H,111,131)(H,112,132)(H,113,133)(H,114,128)(H,115,129)(H,116,130)(H,117,135)(H,118,125)(H,119,137)(H,120,136)/t59-,60-,61-,74+,75+,76+,77+,78-,79-,80-,81-,83+,84+,85-,86-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C100H142N20O17
Molecular Weight	1896.3213
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 `Mon Mar 31 18:26:01 GMT 2025` Edited by `admin` on `Mon Mar 31 18:26:01 GMT 2025`
Record UNII	A14PCM6G2Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOLEUCINEGRAMICIDIN A

Common Name

English

1-L-ISOLEUCINEGRAMICIDIN A

Preferred Name

English

L-TRYPTOPHANAMIDE, N-FORMYL-L-ISOLEUCYLGLYCYL-L-ALANYL-D-LEUCYL-L-ALANYL-D-VALYL-L-VALYL-D-VALYL-L-TRYPTOPHYL-D-LEUCYL-L-TRYPTOPHYL-D-LEUCYL-L-TRYPTOPHYL-D-LEUCYL-N-(2-HYDROXYETHYL)-

Systematic Name

English

GRAMICIDIN A, 1-L-ISOLEUCINE-

Common Name

English

Code System Code Type Description

FDA UNII

A14PCM6G2Q

Created by admin on Mon Mar 31 18:26:01 GMT 2025 , Edited by admin on Mon Mar 31 18:26:01 GMT 2025

PRIMARY

PUBCHEM

73416492

Created by admin on Mon Mar 31 18:26:01 GMT 2025 , Edited by admin on Mon Mar 31 18:26:01 GMT 2025

PRIMARY

CAS

5536-03-8

Created by admin on Mon Mar 31 18:26:01 GMT 2025 , Edited by admin on Mon Mar 31 18:26:01 GMT 2025

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