1-L-Valine-11-L-phenylalaninegramicidin A

Catalog No. :: ACNUUP340
CAS No. :: 4422-52-0
Molecular Formula :: C97H139N19O17
Molecular Weight :: 1843.30

IUPAC Name:(R)-2-((3S,9S,12R,15S,18R,21S,24R,27S)-27-((1H-indol-3-yl)methyl)-12-isobutyl-3,18,21,24-tetraisopropyl-9,15-dimethyl-1,4,7,10,13,16,19,22,25-nonaoxo-2,5,8,11,14,17,20,23,26-nonaazaoctacosan-28-amido)-N-((5S,8R,11S,14R,17S)-5,11-bis((1H-indol-3-yl)methyl)-1-hydroxy-8,14-diisobutyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-17-yl)-4-methylpentanamide

1-L-Valine-11-L-phenylalaninegramicidin A structure diagram

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Product Name	1-L-Valine-11-L-phenylalaninegramicidin A
IUPAC Name	(R)-2-((3S,9S,12R,15S,18R,21S,24R,27S)-27-((1H-indol-3-yl)methyl)-12-isobutyl-3,18,21,24-tetraisopropyl-9,15-dimethyl-1,4,7,10,13,16,19,22,25-nonaoxo-2,5,8,11,14,17,20,23,26-nonaazaoctacosan-28-amido)-N-((5S,8R,11S,14R,17S)-5,11-bis((1H-indol-3-yl)methyl)-1-hydroxy-8,14-diisobutyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-17-yl)-4-methylpentanamide
Molecular Formula	C97H139N19O17
Molecular Weight	1843.30
SMILES	CC(C)C[C@@H](NC([C@H](CC1=CNC2=C1C=CC=C2)NC([C@@H](C(C)C)NC([C@H](C(C)C)NC([C@@H](C(C)C)NC([C@H](C)NC([C@@H](CC(C)C)NC([C@H](C)NC(CNC([C@H](C(C)C)NC=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C(N[C@@H](CC3=CC=CC=C3)C(N[C@H](CC(C)C)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(N[C@H](CC(C)C)C(N[C@@H](CC6=CNC7=C6C=CC=C7)C(NCCO)=O)=O)=O)=O)=O)=O
InChI Key	LQSMEVHEYXACJP-DSHASFMGSA-N
Synonym	Gramicidin A, 1-L-valine-11-L-phenylalanine-
CAS No.	4422-52-0

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ACNUUP3404422-52-0

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1-L-Valine-11-L-phenylalaninegramicidin A

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Synthetic Route by SureRoute

1. ACNUUP340 Molecular Building Block Synthetic Route

2. ACNUUP340 Molecular Building Block Synthetic Route

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1-L-Valine-11-L-phenylalaninegramicidin A

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Synthetic Route by SureRoute

(3R,6R,9R,12S,15R,18R)-3-((1H-Indol-3-yl)methyl)-12-isobutyl-9,15-diisopropyl-6,18-dimethyl-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptaone

(3S,6S)-3-((1H-Indol-3-yl)methyl)-6-isobutylpiperazine-2,5-dione

K-(D-1-Nal)-FwLL-NH2

(3S,6S,9S,12S)-6-((1H-Indol-3-yl)methyl)-12-isopropyl-3,9-dimethyl-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11,14-pentaone

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