 Home > Encyclopedia > (S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid

(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid

(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid structure

CAS No:
218275-70-8
Formula:
C31H50N6O12
Chemical Name:
(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid
Synonyms:
CHEMBL72695;218275-70-8;Ac-D-D-I-V-P-Nva-OH;Azapeptide-based compound 20;BDBM3879;DTXSID60944431;BDBM50071984;Acetyl-Asp-Asp-Ile-Val-Pro-Norvaline-OH;L-norvaline, N-acetyl-L-alpha-aspartyl-L-alpha-aspartyl-L-isoleucyl-L-valyl-L-prolyl-;(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid;(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-acetamido-3-formamidopropanoic acid]-3-formamidopropanoic acid]-3-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}pentanoic acid;(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid;2-{[1-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylamino)-3-carboxy-propionylamino]-3-methyl-pentanoylamino}-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid;L-Norvaline, N-acetyl-L-alpha-aspartyl-L-alpha-aspartyl-L-isoleucyl-L-valyl-L-prolyl- (9CI);N-[{1-[N-(2-{[3-Carboxy-2-({3-carboxy-1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-3-methylpentylidene)valyl]pyrrolidin-2-yl}(hydroxy)methylidene]no

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(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid Basic Attributes

Molecular Weight：

698.8 g/mol

Exact Mass：

698.34867105 g/mol

Characteristics

PSA：

278 Å²

Computed Properties

Molecular Weight:698.8
XLogP3:-1.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:20
Exact Mass:698.34867105
Monoisotopic Mass:698.34867105
Topological Polar Surface Area:278
Heavy Atom Count:49
Complexity:1260
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-carboxy-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid

Basic Attributes
Characteristics
Computed Properties
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