GPDA 200mg

CAT: 0628-A21945-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A21945-200Size:200 mg

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CAS Number

65096-46-0

Chemical Information

Gly-Pro p-nitroanilide p-toluenesulfonate salt

CAS Number	65096-46-0
PubChem CID	22805729
IUPAC Name	(2S)-1-(2-aminoacetyl)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;4-methylbenzenesulfonic acid
Molecular Formula	C20H24N4O7S
Molecular Weight	464.5
Topological Polar Surface Area	184
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	621

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C[C@H](N(C1)C(=O)CN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4.C7H8O3S/c14-8-12(18)16-7-1-2-11(16)13(19)15-9-3-5-10(6-4-9)17(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11H,1-2,7-8,14H2,(H,15,19);2-5H,1H3,(H,8,9,10)/t11-;/m0./s1

InChIKey

XHLUWCXVWCBOPP-MERQFXBCSA-N

Chemical Structure

2D Structure

CAS: 65096-46-0

CID: 22805729

Formula: C20H24N4O7S

MW: 464.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	464.13657029
Monoisotopic Mass	464.13657029
Topological Polar Surface Area	184 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	621
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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GPDA 200mg

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