H-Cit-AMC · HBr

CAT: 0121-4019017.0100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0121-4019017.0100Size:100 mg

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CAS Number

123314-39-6

Specifications

I-1460.0100

Synonyms

H-Orn (carbamoyl) -AMC · HBr

Sequence

H-Cit-AMC · HBr

Molecular Formula

C₁₆H₂₀N₄O₄ · HBr

Molecular Weight

413.27

Shipping Conditions

Ambient Temperature

Storage Temperature

< -15°C

Chemical Information

L-Citrulline 7-amido-4-methylcoumarin hydrobromide

CAS Number	123314-39-6
PubChem CID	16211783
IUPAC Name	(2S)-2-amino-5-(carbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrobromide
Molecular Formula	C16H21BrN4O4
Molecular Weight	413.27
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	534

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCNC(=O)N)N.Br

InChI

InChI=1S/C16H20N4O4.BrH/c1-9-7-14(21)24-13-8-10(4-5-11(9)13)20-15(22)12(17)3-2-6-19-16(18)23;/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,20,22)(H3,18,19,23);1H/t12-;/m0./s1

InChIKey

XYOHUMXDURSJOW-YDALLXLXSA-N

Chemical Structure

2D Structure

CAS: 123314-39-6

CID: 16211783

Formula: C16H21BrN4O4

MW: 413.27

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	413.27
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	412.07462
Monoisotopic Mass	412.07462
Topological Polar Surface Area	137 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	534
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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4006058.1000	H-Cit-AMC
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4002520.0025	H-Gly-Pro-AMC · HBr
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Alternative Products

Catalog	Name
FC110542-01	H-Cit-AMC·HBr
FC110497-01	H-Cit-AMC trifluoroacetate salt
BIA85145-01	H-L-Cit-amc hbr
sc-300785	H-Cit-AMC (Trifluoroacetate salt)
TRC-C596370-250MG	H-L-Cit-AMC Hydrobromide
FP110564-01	Z-Phe-Cit-AMC
FG110499-01	H-Glu-AMC
FT110528-01	H-Thr-AMC
GW7750-2g	H-Met-AMC
sc-300784	H-Asp-AMC

H-Cit-AMC · HBr

Chemical Information

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