Boc-Ala-Met-OH

CAT: 0024-sc-285115Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285115Size:1 g

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CAS Number

117823-40-2

Chemical Information

Boc-Ala-Met-OH

CAS Number	117823-40-2
PubChem CID	14237514
IUPAC Name	(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular Formula	C13H24N2O5S
Molecular Weight	320.41
XLogP	1.3
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	21
Formal Charge	0
Complexity	381

SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H24N2O5S/c1-8(14-12(19)20-13(2,3)4)10(16)15-9(11(17)18)6-7-21-5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16)(H,17,18)/t8-,9-/m0/s1

InChIKey

AHLVVUWWZRNUQV-IUCAKERBSA-N

Chemical Structure

2D Structure

CAS: 117823-40-2

CID: 14237514

Formula: C13H24N2O5S

MW: 320.41

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.41
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	320.14059304
Monoisotopic Mass	320.14059304
Topological Polar Surface Area	130 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes