 Home > Encyclopedia > 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2 -yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricos-3-yl)-2-methyl-pro panoic acid

3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2 -yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricos-3-yl)-2-methyl-pro panoic acid

3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2 -yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricos-3-yl)-2-methyl-pro panoic acid structure

CAS No:
79385-98-1
Formula:
C31H51N5O9
Chemical Name:
3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2 -yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricos-3-yl)-2-methyl-pro panoic acid
Synonyms:
Destruxin D1;CTK5E6744;DTXSID801000437;beta-Alanine, 4-carboxy-2-hydroxypentanoyl-2-piperidinecarbonyl-L-isoleucyl-N-methyl-L-valyl-N-methyl-L-alanyl-, (6->1)-lactone 5;3-[3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-4,7,14,17-tetraoxo-6-(propan-2-yl)-3,5,6,7,8,9,12,13,14,16,17,19,20,21,22,22a-hexadecahydro-4H-pyrido[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-1;b-Alanine,4-carboxy-2-hydroxypentanoyl-2-piperidinecarbonyl-L-isoleucyl-N-methyl-L-valyl-N-methyl-L-alanyl-,(6®1)-lactone (9CI)

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3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2 -yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricos-3-yl)-2-methyl-pro panoic acid Basic Attributes

Molecular Weight：

637.775

Exact Mass：

637.369

Characteristics

PSA：

183

XLogP3：

1.9

Computed Properties

Molecular Weight:637.8
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:637.36867822
Monoisotopic Mass:637.36867822
Topological Polar Surface Area:183
Heavy Atom Count:45
Complexity:1130
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2 -yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricos-3-yl)-2-methyl-pro panoic acid

Basic Attributes
Characteristics
Computed Properties
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3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2 -yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricos-3-yl)-2-methyl-pro panoic acid

SDS

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