 Home > Encyclopedia > (6S,9S,15R,18S,21S)-15-((1H-indol-3-yl)methyl)-9,18-dibutyl-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid

(6S,9S,15R,18S,21S)-15-((1H-indol-3-yl)methyl)-9,18-dibutyl-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid

(6S,9S,15R,18S,21S)-15-((1H-indol-3-yl)methyl)-9,18-dibutyl-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid structure

CAS No:
119386-87-7
Formula:
C51H67N7O15S
Chemical Name:
(6S,9S,15R,18S,21S)-15-((1H-indol-3-yl)methyl)-9,18-dibutyl-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid
Synonyms:
Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-O-CH2-CH2-C6H5;JMV 179;JMV-179;tert butoxycarbonyl-sulfo-tyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartic acid phenethyl ester;Jmv 179;Jmv-179;119386-87-7;(6S,9S,15R,18S,21S)-15-((1H-indol-3-yl)methyl)-9,18-dibutyl-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid;Boc-tyr(SO3H)-nle-gly-trp-nle-asp-O-CH2-CH2-C6H5;(3S)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid;L-Aspartic acid, N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-norleucyl)glycyl)-D-tryptophyl)-L-norleucyl)-, 1-(2-phenylethyl) ester;Tert butoxycarbonyl-sulfo-tyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartic acid phenethyl ester;tert-Butoxycarbonyl-sulfo-tyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartic acid phenethyl ester

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(6S,9S,15R,18S,21S)-15-((1H-indol-3-yl)methyl)-9,18-dibutyl-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid Basic Attributes

Molecular Weight：

1050.2 g/mol

Exact Mass：

1049.44158563 g/mol

Characteristics

PSA：

335 Å²

Drug Information

MeSH Entry Terms：

Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-O-CH2-CH2-C6H5

Computed Properties

Molecular Weight:1050.2
XLogP3:5.9
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:32
Exact Mass:1049.44158563
Monoisotopic Mass:1049.44158563
Topological Polar Surface Area:335
Heavy Atom Count:74
Complexity:1970
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6S,9S,15R,18S,21S)-15-((1H-indol-3-yl)methyl)-9,18-dibutyl-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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