N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid（CAS番号：67655-94-1）

N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid

基本情報

編集器で閲覧

CAS番号

67655-94-1

分子式

C21H38N4O8

分子量

474.56 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品アミン類

精密化学品界面活性剤アニオン性界面活性剤

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

基本的な物理特性

沸点

795 ºC

密度

1.228

引火点

435 ºC

SMILES

編集器で閲覧

CC(C)CC(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)O)N

InChI

InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1

InChIKey

QFAADIRHLBXJJS-ZAZJUGBXSA-N

LogP

-0.9535999999999947

トポロジカル極性表面積

208.15 Å²

水素結合ドナー/アクセプター

8 / 12

複雑度

710

同義語と引用データ

英語

3-amino-2-hydroxy-5-methylhexanoyl-L-valyl-L-valyl-L-aspartic acid
BRN 4727847
(S)-2-((S)-2-((S)-2-((2S,3R)-3-amino-2-hydroxy-5-methylhexanamido)-3-methylbutanamido)-3-methylbutanamido)succinic acid
SCHEMBL163492
DTXSID10987015
AKOS040745009
SMR000058546
Amastatin
N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid
Leu[1psi,CHOHCONH]ValValAsp
L-Aspartic acid, N-(N-(N-(3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl)-L-valyl)-, (S-(R*,S*))-
L-Aspartic acid, N-((2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl-L-valyl-
Q21098987
C01552
NCGC00346895-01
67655-94-1
CHEMBL28650
MLS006010001
QFAADIRHLBXJJS-ZAZJUGBXSA-N
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
BDBM50017478
NS00011840
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
((2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl)-L-valyl-L-valyl-L-aspartic acid
N-[2-({2-[(3-Amino-1,2-dihydroxy-5-methylhexylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1-hydroxy-3-methylbutylidene]aspartic acid
N-((2S,3R)-3-Amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl-L-valyl-L-aspartic acid
L-Aspartic acid, N-[(2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]-L-valyl-L-valyl-
L-Aspartic acid, N-(N-(3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl)-L-valyl)-, (S-(R*,S*))-
CHEBI:2624
[(2S,3R)-3-AMINO-2-HYDROXY-5-METHYLHEXANOYL]-VAL-VAL-ASP
AMASTATIN