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Arphamenine B

CAT: 0024-sc-202959ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202959ASize:5 mg
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CAS Number
144110-38-3

Chemical Information

(2R,5S)-5-Amino-8-guanidino-4-oxo-2-P-hydroxyphenylmethyloctanoic acid hemisulfate monohydrate
CAS Number144110-38-3
PubChem CID90470038
IUPAC Namebis((2S,5R)-5-amino-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid);sulfuric acid
Molecular FormulaC32H50N8O12S
Molecular Weight770.9
Topological Polar Surface Area413
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count20
Heavy Atom Count53
Formal Charge0
Complexity525
SMILES
C1=CC(=CC=C1C[C@@H](CC(=O)[C@@H](CCCN=C(N)N)N)C(=O)O)O.C1=CC(=CC=C1C[C@@H](CC(=O)[C@@H](CCCN=C(N)N)N)C(=O)O)O.OS(=O)(=O)O
InChI
InChI=1S/2C16H24N4O4.H2O4S/c2*17-13(2-1-7-20-16(18)19)14(22)9-11(15(23)24)8-10-3-5-12(21)6-4-10;1-5(2,3)4/h2*3-6,11,13,21H,1-2,7-9,17H2,(H,23,24)(H4,18,19,20);(H2,1,2,3,4)/t2*11-,13+;/m00./s1
InChIKey
AUNSMFLBHPILAD-BGXAZEKTSA-N
Chemical Structure
2D Structure
2D structure of (2R,5S)-5-Amino-8-guanidino-4-oxo-2-P-hydroxyphenylmethyloctanoic acid hemisulfate monohydrate
CAS: 144110-38-3
CID: 90470038
Formula: C32H50N8O12S
MW: 770.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight770.9
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count20
Exact Mass770.32689023
Monoisotopic Mass770.32689023
Topological Polar Surface Area413 Ų
Heavy Atom Count53
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TN10713-01Arphamenine A
ALX-270-012-M005Arphamenine B
441780-01Arphamenine B Hemisulfate
C4189-10Arphamenine B (hemisulfate)

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