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Ac-Arg-Leu-Arg-MCA

CAT: 0024-sc-391019Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-391019Size:1 mg
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CAS Number
929903-87-7

Chemical Information

Ac-Arg-Leu-Arg-AMC
CAS Number929903-87-7
PubChem CID146160197
IUPAC Name2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]-4-methylpentanamide;2,2,2-trifluoroacetic acid
Molecular FormulaC32H47F3N10O8
Molecular Weight756.8
Topological Polar Surface Area309
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Heavy Atom Count53
Formal Charge0
Complexity1260
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C30H46N10O6.C2HF3O2/c1-16(2)13-23(40-27(44)21(37-18(4)41)7-5-11-35-29(31)32)28(45)39-22(8-6-12-36-30(33)34)26(43)38-19-9-10-20-17(3)14-25(42)46-24(20)15-19;3-2(4,5)1(6)7/h9-10,14-16,21-23H,5-8,11-13H2,1-4H3,(H,37,41)(H,38,43)(H,39,45)(H,40,44)(H4,31,32,35)(H4,33,34,36);(H,6,7)
InChIKey
CEEMPRHZPRGAAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ac-Arg-Leu-Arg-AMC
CAS: 929903-87-7
CID: 146160197
Formula: C32H47F3N10O8
MW: 756.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight756.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Exact Mass756.35304298
Monoisotopic Mass756.35304298
Topological Polar Surface Area309 Ų
Heavy Atom Count53
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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