Ac-YVAD-pNA 10mg

CAT: 0628-A23146-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A23146-10Size:10 mg

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CAS Number

149231-66-3

Chemical Information

Acetyl-tyrosyl-valyl-alanyl-aspartic acid p-nitroanilide

a colorimetric substrate for assaying caspase-1 activity

CAS Number	149231-66-3
PubChem CID	10484117
IUPAC Name	(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-(4-nitroanilino)-4-oxobutanoic acid
Molecular Formula	C29H36N6O10
Molecular Weight	628.6
XLogP	1.2
Topological Polar Surface Area	249
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	14
Heavy Atom Count	45
Formal Charge	0
Complexity	1080

SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C

InChI

InChI=1S/C29H36N6O10/c1-15(2)25(34-28(42)22(31-17(4)36)13-18-5-11-21(37)12-6-18)29(43)30-16(3)26(40)33-23(14-24(38)39)27(41)32-19-7-9-20(10-8-19)35(44)45/h5-12,15-16,22-23,25,37H,13-14H2,1-4H3,(H,30,43)(H,31,36)(H,32,41)(H,33,40)(H,34,42)(H,38,39)/t16-,22-,23-,25-/m0/s1

InChIKey

YDPNOCSPPGFBPX-XNHCRPTKSA-N

Chemical Structure

2D Structure

CAS: 149231-66-3

CID: 10484117

Formula: C29H36N6O10

MW: 628.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	628.6
XLogP3	1.2
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	14
Exact Mass	628.24929137
Monoisotopic Mass	628.24929137
Topological Polar Surface Area	249 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Ac-YVAD-pNA 10mg

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