(S)-N-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-12-((1H-Indol-3-yl)methyl)-1-amino-15,30-di((S)-sec-butyl)-6-carbamoyl-9,18-bis(3-guanidinopropyl)-1-imino-21,27-diisopropyl-24,35-dimethyl-8,11,14,17,20,23,26,29,32-nonaoxo-2,7,10,13,16,19,22,25,28,31-decaazahexatriacontan-33-yl)-2-((S)-2-amino-3-methylbutanamido)-5-guanidinopentanamide

Catalog No. :: ACDNPG261
CAS No. :: 1453221-07-2
Molecular Formula :: C71H126N26O12
Molecular Weight :: 1535.96

IUPAC Name:(S)-N-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-12-((1H-indol-3-yl)methyl)-1-amino-15,30-di((S)-sec-butyl)-6-carbamoyl-9,18-bis(3-guanidinopropyl)-1-imino-21,27-diisopropyl-24,35-dimethyl-8,11,14,17,20,23,26,29,32-nonaoxo-2,7,10,13,16,19,22,25,28,31-decaazahexatriacontan-33-yl)-2-((S)-2-amino-3-methylbutanamido)-5-guanidinopentanamide

(S)-N-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-12-((1H-Indol-3-yl)methyl)-1-amino-15,30-di((S)-sec-butyl)-6-carbamoyl-9,18-bis(3-guanidinopropyl)-1-imino-21,27-diisopropyl-24,35-dimethyl-8,11,14,17,20,23,26,29,32-nonaoxo-2,7,10,13,16,19,22,25,28,31-decaazahexatriacontan-33-yl)-2-((S)-2-amino-3-methylbutanamido)-5-guanidinopentanamide structure diagram

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Product Name	(S)-N-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-12-((1H-Indol-3-yl)methyl)-1-amino-15,30-di((S)-sec-butyl)-6-carbamoyl-9,18-bis(3-guanidinopropyl)-1-imino-21,27-diisopropyl-24,35-dimethyl-8,11,14,17,20,23,26,29,32-nonaoxo-2,7,10,13,16,19,22,25,28,31-decaazahexatriacontan-33-yl)-2-((S)-2-amino-3-methylbutanamido)-5-guanidinopentanamide
IUPAC Name	(S)-N-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-12-((1H-indol-3-yl)methyl)-1-amino-15,30-di((S)-sec-butyl)-6-carbamoyl-9,18-bis(3-guanidinopropyl)-1-imino-21,27-diisopropyl-24,35-dimethyl-8,11,14,17,20,23,26,29,32-nonaoxo-2,7,10,13,16,19,22,25,28,31-decaazahexatriacontan-33-yl)-2-((S)-2-amino-3-methylbutanamido)-5-guanidinopentanamide
Molecular Formula	C71H126N26O12
Molecular Weight	1535.96
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
InChI Key	RNOHIZCXHRBFRE-MUOSHHONSA-N
Synonym	(S)-N-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S)-12-((1H-Indol-3-yl)methyl)-1-amino-15,30-di((S)-sec-butyl)-6-carbamoyl-9,18-bis(3-guanidinopropyl)-1-imino-21,27-diisopropyl-24,35-dimethyl-8,11,14,17,20,23,26,29,32-nonaoxo-2,7,10,13,16,19,22,25,28,31-decaazahexatriacontan-33-yl)-2-((S)-2-amino-3-methylbutanamido)-5-guanidinopentanamide;L-Argininamide, L-valyl-L-arginyl-L-leucyl-L-isoleucyl-L-valyl-L-alanyl-L-valyl-L-arginyl-L-isoleucyl-L-tryptophyl-L-arginyl-;IDR-1018 (non-amidated)
CAS No.	1453221-07-2

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ACDNPG2611453221-07-2

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Synthetic Route by SureRoute

1. ACDNPG261 Molecular Building Block Synthetic Route

2. ACDNPG261 Molecular Building Block Synthetic Route

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Synthetic Route by SureRoute

IDR 1002

(S)-N-((S)-1-(((S)-1-(((S)-1-(((S)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-5-gua

RKLLW-NH2

(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

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