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N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid | CAS No. 67655-94-1

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

Basic Information

Chemical_Structure_Of

CAS Number

67655-94-1

Molecular Formula

C21H38N4O8

Molecular Weight

474.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Boiling Point

795 ºC

Density

1.228

Flash Point

435 ºC

SMILES

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

Topological Polar Surface Area

208.15 Å²

Hydrogen Bond Donor/Acceptor

8 / 12

Complexity

710

Synonyms & References

English

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

Customs Code

29241900

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS Number: 1016505-59-1

Molecular Formula: C8H7N3O2

(10,10,10-~2~H_3_)Decanoic acid structure

(10,10,10-~2~H_3_)Decanoic acid

CAS Number: 102611-15-4

Molecular Formula: C10H17D3O2

Methyl 8-methylquinoline-7-carboxylate structure

Methyl 8-methylquinoline-7-carboxylate

CAS Number: 1030846-94-6

Molecular Formula: C12H11NO2

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

CAS Number: 1048919-15-8

Molecular Formula: C12H14FNO4

4,6-Nonadecadiyn-1-ol structure

4,6-Nonadecadiyn-1-ol

CAS Number: 1071447-01-2

Molecular Formula: C19H32O

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

CAS Number: 110187-11-6

Molecular Formula: C19H18O6

Azithromycin EP Impurity J structure

Azithromycin EP Impurity J

CAS Number: 117693-41-1

Molecular Formula: C30H58N2O9

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride

CAS Number: 1198286-24-6

Molecular Formula: C16H26Cl2N2

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Supplier Information

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 67655-94-1

Hangzhou Tijk Biotechnology Co., Ltd.

CAS Number: 67655-94-1

Shanghai Chupeptide Biotechnology Co., Ltd.

CAS Number: 67655-94-1

Beijing Ximeijie Technology Co., Ltd

CAS Number: 67655-94-1